6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine

C14H13N7 — CID 117085010

IUPAC6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1nc(Nc2ccccc2)cc(Nc2ccncn2)n1
InChIInChI=1S/C14H13N7/c15-14-20-12(18-10-4-2-1-3-5-10)8-13(21-14)19-11-6-7-16-9-17-11/h1-9H,(H4,15,16,17,18,19,20,21)
InChIKeyLILFHDLVRUXCOV-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.34
Rot. Bonds4

About 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine

6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine (PubChem CID 117085010) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
PubChem CID117085010
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1nc(Nc2ccccc2)cc(Nc2ccncn2)n1
InChIInChI=1S/C14H13N7/c15-14-20-12(18-10-4-2-1-3-5-10)8-13(21-14)19-11-6-7-16-9-17-11/h1-9H,(H4,15,16,17,18,19,20,21)
InChIKeyLILFHDLVRUXCOV-UHFFFAOYSA-N
XLogP2.34
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
N-(3,5-diphenylphenyl)pyrimidin-4-amine
CID 177073734
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-(pyrimidin-4-ylamino)phenol
CID 115017243
1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117081350
3-N-pyrimidin-4-ylpyridazine-3,6-diamine
CID 83618963
2-N-pyrimidin-4-ylpyrimidine-2,5-diamine
CID 83618961
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
2-N-phenylpyridine-2,5-diamine
CID 3015331
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine (CID 117085010) is 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine is Nc1nc(Nc2ccccc2)cc(Nc2ccncn2)n1.
What is the InChIKey of 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
The InChIKey is LILFHDLVRUXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c15-14-20-12(18-10-4-2-1-3-5-10)8-13(21-14)19-11-6-7-16-9-17-11/h1-9H,(H4,15,16,17,18,19,20,21).
What are the key properties of 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine?
6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine has a molecular weight of 279.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 117085010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).