6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine

C21H29N9O — CID 134586228

IUPAC6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCO[C@H](C)c1cc2cnc(Nc3cnc(N4CCNCC4)cn3)nc2c(NC(C)C)n1
InChIInChI=1S/C21H29N9O/c1-13(2)26-20-19-15(9-16(27-20)14(3)31-4)10-25-21(29-19)28-17-11-24-18(12-23-17)30-7-5-22-6-8-30/h9-14,22H,5-8H2,1-4H3,(H,26,27)(H,23,25,28,29)/t14-/m1/s1
InChIKeyHQMQVIVQVLEABM-CQSZACIVSA-N
MW423.53 g/mol
LogP2.50
Rot. Bonds7

About 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine

6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 134586228) has the molecular formula C21H29N9O and a molecular weight of 423.53 g/mol. Its IUPAC name is 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID134586228
Molecular FormulaC21H29N9O
Molecular Weight423.53 g/mol
Exact Mass423.25
IUPAC Name6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCO[C@H](C)c1cc2cnc(Nc3cnc(N4CCNCC4)cn3)nc2c(NC(C)C)n1
InChIInChI=1S/C21H29N9O/c1-13(2)26-20-19-15(9-16(27-20)14(3)31-4)10-25-21(29-19)28-17-11-24-18(12-23-17)30-7-5-22-6-8-30/h9-14,22H,5-8H2,1-4H3,(H,26,27)(H,23,25,28,29)/t14-/m1/s1
InChIKeyHQMQVIVQVLEABM-CQSZACIVSA-N
XLogP2.50
TPSA113.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(1-methoxyethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-8-N-propylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 134585767
4-[[6-[[6-(1-methoxyethyl)-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylic acid
CID 139529076
(1R)-1-[2-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 134586414
6-(1-methoxyethyl)-8-N-(oxan-4-ylmethyl)-2-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 134586427
1-[8-[[(3R)-oxan-3-yl]amino]-2-[(6-piperazin-1-ylpyridazin-3-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 175054012
(1R)-1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 140876675
1-[6-(1-hydroxyethyl)-2-[(6-piperazin-1-ylpyridazin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidine-3-carboxylic acid
CID 139529211
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 170188085
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 167605316
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrazin-2-amine
CID 168776208

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine (CID 134586228) is 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine is CO[C@H](C)c1cc2cnc(Nc3cnc(N4CCNCC4)cn3)nc2c(NC(C)C)n1.
What is the InChIKey of 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is HQMQVIVQVLEABM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H29N9O/c1-13(2)26-20-19-15(9-16(27-20)14(3)31-4)10-25-21(29-19)28-17-11-24-18(12-23-17)30-7-5-22-6-8-30/h9-14,22H,5-8H2,1-4H3,(H,26,27)(H,23,25,28,29)/t14-/m1/s1.
What are the key properties of 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine?
6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 423.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-methoxyethyl]-2-N-(5-piperazin-1-ylpyrazin-2-yl)-8-N-propan-2-ylpyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 134586228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).