5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine

C14H18N4 — CID 80830817

IUPAC5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NC(C)Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-10(8-12-6-4-3-5-7-12)18-14-11(2)13(15)16-9-17-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyZMZBBLRGHRYACD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.41
Rot. Bonds4

About 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine

5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80830817) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80830817
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NC(C)Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-10(8-12-6-4-3-5-7-12)18-14-11(2)13(15)16-9-17-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyZMZBBLRGHRYACD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83180449
5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 66991742
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
CID 66340366
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
6-N,2,5-trimethyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831033
9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
CID 15693953
6-N-methyl-5-nitro-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80811228
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
3-(1-phenylpropan-2-ylamino)pyrazine-2-carbothioamide
CID 63010771
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine (CID 80830817) is 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine is Cc1c(N)ncnc1NC(C)Cc1ccccc1.
What is the InChIKey of 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is ZMZBBLRGHRYACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(8-12-6-4-3-5-7-12)18-14-11(2)13(15)16-9-17-14/h3-7,9-10H,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine?
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80830817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).