5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine

C14H18N4 — CID 66991742

IUPAC5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H](C)Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-10-9-16-14(15)18-13(10)17-11(2)8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1
InChIKeyUXUIXCRRNLWPON-LLVKDONJSA-N
MW242.33 g/mol
LogP2.41
Rot. Bonds4

About 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine

5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine (PubChem CID 66991742) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
PubChem CID66991742
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H](C)Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-10-9-16-14(15)18-13(10)17-11(2)8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1
InChIKeyUXUIXCRRNLWPON-LLVKDONJSA-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

4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
4-N-[3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
CID 72916907
4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
CID 97145590
6-N,2,5-trimethyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831033
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
3-(1-phenylpropan-2-ylamino)pyrazine-2-carbothioamide
CID 63010771
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
CID 66340366
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine (CID 66991742) is 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1N[C@H](C)Cc1ccccc1.
What is the InChIKey of 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is UXUIXCRRNLWPON-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-9-16-14(15)18-13(10)17-11(2)8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1.
What are the key properties of 5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine?
5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-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-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66991742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).