3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H15ClN4O — CID 106119588

IUPAC3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1cnc(Cl)nc1NCC1CCC(O)C1
InChIInChI=1S/C10H15ClN4O/c11-10-14-5-8(12)9(15-10)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4,12H2,(H,13,14,15)
InChIKeyIDSDKGVHTJARSI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.29
Rot. Bonds3

About 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106119588) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106119588
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1cnc(Cl)nc1NCC1CCC(O)C1
InChIInChI=1S/C10H15ClN4O/c11-10-14-5-8(12)9(15-10)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4,12H2,(H,13,14,15)
InChIKeyIDSDKGVHTJARSI-UHFFFAOYSA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114146012
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137194
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395
3-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137892
3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106119555
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
cis-(1R,3S)-3-[[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol;trans-(1S,2S)-2-[[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 67010545
3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106119588) is 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Nc1cnc(Cl)nc1NCC1CCC(O)C1.
What is the InChIKey of 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is IDSDKGVHTJARSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-10-14-5-8(12)9(15-10)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4,12H2,(H,13,14,15).
What are the key properties of 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106119588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).