2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H16N4O — CID 80856454

IUPAC2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nccc(NCC2CCCC2O)n1
InChIInChI=1S/C10H16N4O/c11-10-12-5-4-9(14-10)13-6-7-2-1-3-8(7)15/h4-5,7-8,15H,1-3,6H2,(H3,11,12,13,14)
InChIKeySNARUWCFEJLLOP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds3

About 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 80856454) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID80856454
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nccc(NCC2CCCC2O)n1
InChIInChI=1S/C10H16N4O/c11-10-12-5-4-9(14-10)13-6-7-2-1-3-8(7)15/h4-5,7-8,15H,1-3,6H2,(H3,11,12,13,14)
InChIKeySNARUWCFEJLLOP-UHFFFAOYSA-N
XLogP0.63
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137892
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
[2-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80925618
2-[[(6-aminoquinolin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64929609
2-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66278140
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
2-[[(5-methoxy-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106504158
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 154869671
2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856693

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 80856454) is 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Nc1nccc(NCC2CCCC2O)n1.
What is the InChIKey of 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is SNARUWCFEJLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-12-5-4-9(14-10)13-6-7-2-1-3-8(7)15/h4-5,7-8,15H,1-3,6H2,(H3,11,12,13,14).
What are the key properties of 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80856454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).