6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C18H29N5O — CID 124735336

IUPAC6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESc1nc(NCC2CC2)cc(NC2CCN(C[C@H]3CCOC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-16-3-6-23(7-4-16)11-15-5-8-24-12-15/h9,13-16H,1-8,10-12H2,(H2,19,20,21,22)/t15-/m1/s1
InChIKeyNNHHZNWVAHCJGK-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.21
Rot. Bonds7

About 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 124735336) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID124735336
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESc1nc(NCC2CC2)cc(NC2CCN(C[C@H]3CCOC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-16-3-6-23(7-4-16)11-15-5-8-24-12-15/h9,13-16H,1-8,10-12H2,(H2,19,20,21,22)/t15-/m1/s1
InChIKeyNNHHZNWVAHCJGK-OAHLLOKOSA-N
XLogP2.21
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139063
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133305265
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 75390795
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 124735336) is 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is c1nc(NCC2CC2)cc(NC2CCN(C[C@H]3CCOC3)CC2)n1.
What is the InChIKey of 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is NNHHZNWVAHCJGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-14(1)10-19-17-9-18(21-13-20-17)22-16-3-6-23(7-4-16)11-15-5-8-24-12-15/h9,13-16H,1-8,10-12H2,(H2,19,20,21,22)/t15-/m1/s1.
What are the key properties of 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 331.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 124735336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).