4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine

C16H20N4 — CID 115915302

IUPAC4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(N)nc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H20N4/c1-2-10-20(13-8-9-13)15-11-14(17)18-16(19-15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19)
InChIKeyKTQKBDGLYUBSPA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds5

About 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 115915302) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID115915302
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(N)nc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H20N4/c1-2-10-20(13-8-9-13)15-11-14(17)18-16(19-15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19)
InChIKeyKTQKBDGLYUBSPA-UHFFFAOYSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
CID 115915430
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 115915296
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
4-N-methyl-4-N-(oxolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915750
4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915312
4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
CID 112667760
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675
2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 115915164
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 115915936

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine (CID 115915302) is 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine is CCCN(c1cc(N)nc(-c2ccccc2)n1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is KTQKBDGLYUBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-10-20(13-8-9-13)15-11-14(17)18-16(19-15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H2,17,18,19).
What are the key properties of 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).