2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C15H27N5O — CID 50957676

IUPAC2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1Nc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C15H27N5O/c1-10(2)20-8-12(13(9-20)21-6)17-15-16-7-11(3)14(18-15)19(4)5/h7,10,12-13H,8-9H2,1-6H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyWKWQCFDWCKNISN-STQMWFEESA-N
MW293.42 g/mol
LogP1.37
Rot. Bonds5

About 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 50957676) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID50957676
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1Nc1ncc(C)c(N(C)C)n1
InChIInChI=1S/C15H27N5O/c1-10(2)20-8-12(13(9-20)21-6)17-15-16-7-11(3)14(18-15)19(4)5/h7,10,12-13H,8-9H2,1-6H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyWKWQCFDWCKNISN-STQMWFEESA-N
XLogP1.37
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
[(2S,4S)-4-methoxy-1-(pyrimidin-4-yl)pyrrolidin-2-yl]methanamine dihydrochloride
CID 139023976
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]pyrimidin-2-amine dihydrochloride
CID 145909717
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
ethyl [methyl(5-{[(3R)-tetrahydrofuran-3-ylamino]methyl}pyrimidin-2-yl)amino]acetate
CID 50968693
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-isopropoxypyrrolidin-3-ol
CID 50983764
1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
N-[(3S*,4S*)-4-ethoxy-1-methyl-3-pyrrolidinyl]-2-ethyl-5-pyrimidinecarboxamide
CID 72932270
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
N-(1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}pyrrolidin-3-YL)acetamide
CID 77097348

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 50957676) is 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is CO[C@H]1CN(C(C)C)C[C@@H]1Nc1ncc(C)c(N(C)C)n1.
What is the InChIKey of 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is WKWQCFDWCKNISN-STQMWFEESA-N. The full InChI is InChI=1S/C15H27N5O/c1-10(2)20-8-12(13(9-20)21-6)17-15-16-7-11(3)14(18-15)19(4)5/h7,10,12-13H,8-9H2,1-6H3,(H,16,17,18)/t12-,13-/m0/s1.
What are the key properties of 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).