4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine

C17H24N6 — CID 95844426

IUPAC4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(C)C)n1
InChIInChI=1S/C17H24N6/c1-11(2)23-9-5-6-14(23)15-16(19-8-7-18-15)22-17-20-12(3)10-13(4)21-17/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20,21,22)/t14-/m0/s1
InChIKeyZUROBLSNLLCEIK-AWEZNQCLSA-N
MW312.42 g/mol
LogP3.17
Rot. Bonds4

About 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine

4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 95844426) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
PubChem CID95844426
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(C)C)n1
InChIInChI=1S/C17H24N6/c1-11(2)23-9-5-6-14(23)15-16(19-8-7-18-15)22-17-20-12(3)10-13(4)21-17/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20,21,22)/t14-/m0/s1
InChIKeyZUROBLSNLLCEIK-AWEZNQCLSA-N
XLogP3.17
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95844408
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
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844524
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95844542
N-(6-methyl-2-pyridinyl)-3-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrazin-2-amine
CID 95844631
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
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
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (CID 95844426) is 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The InChIKey is ZUROBLSNLLCEIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6/c1-11(2)23-9-5-6-14(23)15-16(19-8-7-18-15)22-17-20-12(3)10-13(4)21-17/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,19,20,21,22)/t14-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95844426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).