3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol

C7H10ClN3O2 — CID 66169551

IUPAC3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C7H10ClN3O2/c8-6-1-7(11-4-10-6)9-2-5(13)3-12/h1,4-5,12-13H,2-3H2,(H,9,10,11)
InChIKeyZHWFHXVUPWABSK-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol

3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 66169551) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID66169551
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)ncn1
InChIInChI=1S/C7H10ClN3O2/c8-6-1-7(11-4-10-6)9-2-5(13)3-12/h1,4-5,12-13H,2-3H2,(H,9,10,11)
InChIKeyZHWFHXVUPWABSK-UHFFFAOYSA-N
XLogP-0.10
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783
2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 76641108
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398
2-[(6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106194123
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
3-[(6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66171465
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965
2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
CID 130913826
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol (CID 66169551) is 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol is OCC(O)CNc1cc(Cl)ncn1.
What is the InChIKey of 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is ZHWFHXVUPWABSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-6-1-7(11-4-10-6)9-2-5(13)3-12/h1,4-5,12-13H,2-3H2,(H,9,10,11).
What are the key properties of 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66169551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).