4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

C17H24N4 — CID 112879173

IUPAC4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,18,19,20,21)
InChIKeySNSMJRCGTPHMKB-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.18
Rot. Bonds7

About 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879173) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879173
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,18,19,20,21)
InChIKeySNSMJRCGTPHMKB-UHFFFAOYSA-N
XLogP4.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879173) is 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is SNSMJRCGTPHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-11-18-15-12-16(19-13(3)5-2)21-17(20-15)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).