N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

C16H22N6 — CID 95844408

IUPACN-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCCN1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H22N6/c1-4-22-9-5-6-13(22)14-15(18-8-7-17-14)21-16-19-11(2)10-12(3)20-16/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyLWNILVUZLKMVLU-CYBMUJFWSA-N
MW298.39 g/mol
LogP2.78
Rot. Bonds4

About N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 95844408) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID95844408
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCCN1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C16H22N6/c1-4-22-9-5-6-13(22)14-15(18-8-7-17-14)21-16-19-11(2)10-12(3)20-16/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyLWNILVUZLKMVLU-CYBMUJFWSA-N
XLogP2.78
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 124996634
4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 110111786
4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 95844426
N,N-dimethyl-2-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270567
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485
N-[6-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 110256805
3-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823694
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
N-(6-methyl-2-pyridinyl)-3-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrazin-2-amine
CID 95844631
2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95828031
3-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 95817095
(E)-1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766509

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 95844408) is N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is CCN1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1.
What is the InChIKey of N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LWNILVUZLKMVLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-22-9-5-6-13(22)14-15(18-8-7-17-14)21-16-19-11(2)10-12(3)20-16/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95844408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).