(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol

C11H17ClN4O2 — CID 52538522

IUPAC(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNc1nc(Cl)cc(NC[C@@H](O)COCC2CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyCUQGTVQBSPFHOE-MRVPVSSYSA-N
MW272.74 g/mol
LogP0.91
Rot. Bonds7

About (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol

(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 52538522) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID52538522
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNc1nc(Cl)cc(NC[C@@H](O)COCC2CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyCUQGTVQBSPFHOE-MRVPVSSYSA-N
XLogP0.91
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 47089938
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133301117

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol (CID 52538522) is (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol is Nc1nc(Cl)cc(NC[C@@H](O)COCC2CC2)n1.
What is the InChIKey of (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is CUQGTVQBSPFHOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 272.74 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 52538522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).