6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine

C15H17ClN4O — CID 133353479

IUPAC6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC2CCOC2c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c16-12-8-13(20-15(17)19-12)18-9-11-6-7-21-14(11)10-4-2-1-3-5-10/h1-5,8,11,14H,6-7,9H2,(H3,17,18,19,20)
InChIKeyAFGPHNXOSBGSOQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 133353479) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID133353479
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC2CCOC2c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c16-12-8-13(20-15(17)19-12)18-9-11-6-7-21-14(11)10-4-2-1-3-5-10/h1-5,8,11,14H,6-7,9H2,(H3,17,18,19,20)
InChIKeyAFGPHNXOSBGSOQ-UHFFFAOYSA-N
XLogP2.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
CID 130921223
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
CID 133353309
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
6-chloro-4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidine-2,4-diamine
CID 42943703
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
CID 133353321
3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129004502
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
4-N-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)methyl]-6-chloropyrimidine-2,4-diamine
CID 166340887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine (CID 133353479) is 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCC2CCOC2c2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AFGPHNXOSBGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-8-13(20-15(17)19-12)18-9-11-6-7-21-14(11)10-4-2-1-3-5-10/h1-5,8,11,14H,6-7,9H2,(H3,17,18,19,20).
What are the key properties of 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 304.78 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133353479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).