[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol

C8H10ClN3O — CID 105369688

IUPAC[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESOCC1(Nc2ncncc2Cl)CC1
InChIInChI=1S/C8H10ClN3O/c9-6-3-10-5-11-7(6)12-8(4-13)1-2-8/h3,5,13H,1-2,4H2,(H,10,11,12)
InChIKeyQCIIAOPLVNDCNT-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.07
Rot. Bonds3

About [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol

[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol (PubChem CID 105369688) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
PubChem CID105369688
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
SMILESOCC1(Nc2ncncc2Cl)CC1
InChIInChI=1S/C8H10ClN3O/c9-6-3-10-5-11-7(6)12-8(4-13)1-2-8/h3,5,13H,1-2,4H2,(H,10,11,12)
InChIKeyQCIIAOPLVNDCNT-UHFFFAOYSA-N
XLogP1.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
[1-[(5-iodopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 66341480
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80832083
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
[1-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]cyclopropyl]methanol
CID 102762620
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885
5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 103880437
[1-[(3-aminopyrazin-2-yl)amino]cyclopropyl]methanol
CID 102987396

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol (CID 105369688) is [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol is OCC1(Nc2ncncc2Cl)CC1.
What is the InChIKey of [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol?
The InChIKey is QCIIAOPLVNDCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-6-3-10-5-11-7(6)12-8(4-13)1-2-8/h3,5,13H,1-2,4H2,(H,10,11,12).
What are the key properties of [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol?
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol has a molecular weight of 199.64 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 105369688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).