2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

C16H23N5O — CID 174734102

IUPAC2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCOC[C@H](N)CNc1nccc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H23N5O/c1-11-6-12(2)8-14(7-11)20-15-4-5-18-16(21-15)19-9-13(17)10-22-3/h4-8,13H,9-10,17H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyHUQJAXQXKAXLFE-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.22
Rot. Bonds7

About 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 174734102) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID174734102
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCOC[C@H](N)CNc1nccc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H23N5O/c1-11-6-12(2)8-14(7-11)20-15-4-5-18-16(21-15)19-9-13(17)10-22-3/h4-8,13H,9-10,17H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyHUQJAXQXKAXLFE-CYBMUJFWSA-N
XLogP2.22
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 174734138
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901448
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902605
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903224
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25104267
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(3-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 163858785

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (CID 174734102) is 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is COC[C@H](N)CNc1nccc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HUQJAXQXKAXLFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-6-12(2)8-14(7-11)20-15-4-5-18-16(21-15)19-9-13(17)10-22-3/h4-8,13H,9-10,17H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1.
What are the key properties of 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).