4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine

C16H23N5 — CID 97145590

IUPAC4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H](CCN(C)C)c1ccccc1
InChIInChI=1S/C16H23N5/c1-12-11-18-16(17)20-15(12)19-14(9-10-21(2)3)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H3,17,18,19,20)/t14-/m1/s1
InChIKeyHSHXNRDSAYHVKY-CQSZACIVSA-N
MW285.40 g/mol
LogP2.47
Rot. Bonds6

About 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine

4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 97145590) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
PubChem CID97145590
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H](CCN(C)C)c1ccccc1
InChIInChI=1S/C16H23N5/c1-12-11-18-16(17)20-15(12)19-14(9-10-21(2)3)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H3,17,18,19,20)/t14-/m1/s1
InChIKeyHSHXNRDSAYHVKY-CQSZACIVSA-N
XLogP2.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine
CID 72916907
5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 66991742
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
CID 80818217
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95143763
N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
CID 63760548
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine (CID 97145590) is 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1N[C@H](CCN(C)C)c1ccccc1.
What is the InChIKey of 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is HSHXNRDSAYHVKY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-11-18-16(17)20-15(12)19-14(9-10-21(2)3)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H3,17,18,19,20)/t14-/m1/s1.
What are the key properties of 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine?
4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 97145590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).