N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C27H32N4O — CID 95798355

IUPACN,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccccc3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C27H32N4O/c1-21-28-26-20-30(17-22-9-4-2-5-10-22)15-14-25(26)27(29-21)31(19-24-13-8-16-32-24)18-23-11-6-3-7-12-23/h2-7,9-12,24H,8,13-20H2,1H3/t24-/m1/s1
InChIKeyOBYPABUZMDDDKM-XMMPIXPASA-N
MW428.58 g/mol
LogP4.53
Rot. Bonds7

About N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 95798355) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID95798355
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(Cc3ccccc3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C27H32N4O/c1-21-28-26-20-30(17-22-9-4-2-5-10-22)15-14-25(26)27(29-21)31(19-24-13-8-16-32-24)18-23-11-6-3-7-12-23/h2-7,9-12,24H,8,13-20H2,1H3/t24-/m1/s1
InChIKeyOBYPABUZMDDDKM-XMMPIXPASA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110214334
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798351
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110219427
N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92565018
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46985234
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53031430
N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72926395
N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 71845614
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198

Frequently Asked Questions

What is the IUPAC name of N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 95798355) is N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(N(Cc3ccccc3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OBYPABUZMDDDKM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32N4O/c1-21-28-26-20-30(17-22-9-4-2-5-10-22)15-14-25(26)27(29-21)31(19-24-13-8-16-32-24)18-23-11-6-3-7-12-23/h2-7,9-12,24H,8,13-20H2,1H3/t24-/m1/s1.
What are the key properties of N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 428.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95798355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).