4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine

C16H22N4 — CID 80830735

IUPAC4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-10-17-16-18-11-9-15(20-16)19-13(2)12-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeySSNSEFBBUGCADU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds7

About 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine

4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80830735) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80830735
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-10-17-16-18-11-9-15(20-16)19-13(2)12-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeySSNSEFBBUGCADU-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
N,N-dimethyl-2-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80802710
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80830735) is 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NC(C)Cc2ccccc2)n1.
What is the InChIKey of 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is SSNSEFBBUGCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-10-17-16-18-11-9-15(20-16)19-13(2)12-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80830735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).