2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

C10H14ClN3O — CID 105369731

IUPAC2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2ncncc2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c11-8-5-12-7-14-9(8)13-6-10(1-2-10)3-4-15/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeyVNPGFBOSUVYGNJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 105369731) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID105369731
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNc2ncncc2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c11-8-5-12-7-14-9(8)13-6-10(1-2-10)3-4-15/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeyVNPGFBOSUVYGNJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 105369688
5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
2-[1-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114749444
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
2-[1-[[(3-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755799
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol (CID 105369731) is 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is OCCC1(CNc2ncncc2Cl)CC1.
What is the InChIKey of 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is VNPGFBOSUVYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-8-5-12-7-14-9(8)13-6-10(1-2-10)3-4-15/h5,7,15H,1-4,6H2,(H,12,13,14).
What are the key properties of 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 227.69 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 105369731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).