2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

C14H18N4 — CID 80822605

IUPAC2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C)n1)c1ccccc1
InChIInChI=1S/C14H18N4/c1-3-12(11-7-5-4-6-8-11)18-14-9-13(15)16-10(2)17-14/h4-9,12H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyMVGOIXQQPRBZKF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.93
Rot. Bonds4

About 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 80822605) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID80822605
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C)n1)c1ccccc1
InChIInChI=1S/C14H18N4/c1-3-12(11-7-5-4-6-8-11)18-14-9-13(15)16-10(2)17-14/h4-9,12H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyMVGOIXQQPRBZKF-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
5-methyl-7-(1-phenylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282971
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
3-N-(1-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66276469
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (CID 80822605) is 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is CCC(Nc1cc(N)nc(C)n1)c1ccccc1.
What is the InChIKey of 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is MVGOIXQQPRBZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-12(11-7-5-4-6-8-11)18-14-9-13(15)16-10(2)17-14/h4-9,12H,3H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80822605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).