1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol

C12H20N4O — CID 107542282

IUPAC1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nccc(CN)n1
InChIInChI=1S/C12H20N4O/c1-16(9-12(17)5-2-3-6-12)11-14-7-4-10(8-13)15-11/h4,7,17H,2-3,5-6,8-9,13H2,1H3
InChIKeySSJPDHDZIAZAES-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds4

About 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 107542282) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID107542282
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nccc(CN)n1
InChIInChI=1S/C12H20N4O/c1-16(9-12(17)5-2-3-6-12)11-14-7-4-10(8-13)15-11/h4,7,17H,2-3,5-6,8-9,13H2,1H3
InChIKeySSJPDHDZIAZAES-UHFFFAOYSA-N
XLogP0.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952353
1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114383264
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107541680
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
CID 115967591
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol (CID 107542282) is 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1nccc(CN)n1.
What is the InChIKey of 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is SSJPDHDZIAZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(9-12(17)5-2-3-6-12)11-14-7-4-10(8-13)15-11/h4,7,17H,2-3,5-6,8-9,13H2,1H3.
What are the key properties of 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107542282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).