2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C17H25N5 — CID 95143763

IUPAC2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H](CN(C)C)c2ccccc2)nc1N(C)C
InChIInChI=1S/C17H25N5/c1-13-11-18-17(20-16(13)22(4)5)19-15(12-21(2)3)14-9-7-6-8-10-14/h6-11,15H,12H2,1-5H3,(H,18,19,20)/t15-/m1/s1
InChIKeyIYTHGAABZJPDCD-OAHLLOKOSA-N
MW299.42 g/mol
LogP2.57
Rot. Bonds6

About 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 95143763) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID95143763
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H](CN(C)C)c2ccccc2)nc1N(C)C
InChIInChI=1S/C17H25N5/c1-13-11-18-17(20-16(13)22(4)5)19-15(12-21(2)3)14-9-7-6-8-10-14/h6-11,15H,12H2,1-5H3,(H,18,19,20)/t15-/m1/s1
InChIKeyIYTHGAABZJPDCD-OAHLLOKOSA-N
XLogP2.57
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
CID 50954412
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid
CID 135106942
4-N,4-N,5-trimethyl-2-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95141969
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135104844
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
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 95143763) is 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(N[C@H](CN(C)C)c2ccccc2)nc1N(C)C.
What is the InChIKey of 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is IYTHGAABZJPDCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-11-18-17(20-16(13)22(4)5)19-15(12-21(2)3)14-9-7-6-8-10-14/h6-11,15H,12H2,1-5H3,(H,18,19,20)/t15-/m1/s1.
What are the key properties of 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 95143763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).