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

C14H16ClFN4O — CID 51984130

IUPAC(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESNc1nc(Cl)cc(NC[C@H](CO)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H16ClFN4O/c15-12-6-13(20-14(17)19-12)18-7-10(8-21)5-9-1-3-11(16)4-2-9/h1-4,6,10,21H,5,7-8H2,(H3,17,18,19,20)/t10-/m1/s1
InChIKeyNGZABLFYNPLOER-SNVBAGLBSA-N
MW310.76 g/mol
LogP2.11
Rot. Bonds6

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

(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 51984130) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
PubChem CID51984130
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESNc1nc(Cl)cc(NC[C@H](CO)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H16ClFN4O/c15-12-6-13(20-14(17)19-12)18-7-10(8-21)5-9-1-3-11(16)4-2-9/h1-4,6,10,21H,5,7-8H2,(H3,17,18,19,20)/t10-/m1/s1
InChIKeyNGZABLFYNPLOER-SNVBAGLBSA-N
XLogP2.11
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol with MolForge

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Related Compounds

(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 36790111
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
CID 36790047
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
2-benzyl-3-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]propan-1-ol
CID 146094090
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
2-[(1,3-benzothiazol-2-ylamino)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 51114800
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79880069
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol (CID 51984130) is (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol is Nc1nc(Cl)cc(NC[C@H](CO)Cc2ccc(F)cc2)n1.
What is the InChIKey of (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is NGZABLFYNPLOER-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c15-12-6-13(20-14(17)19-12)18-7-10(8-21)5-9-1-3-11(16)4-2-9/h1-4,6,10,21H,5,7-8H2,(H3,17,18,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol?
(2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 310.76 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 51984130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).