1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H22N6O — CID 110270538

IUPAC1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C17H22N6O/c1-4-14(24)23-9-5-6-13(23)15-16(19-8-7-18-15)22-17-20-11(2)10-12(3)21-17/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20,21,22)
InChIKeySDDPVBVPZFJDMQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110270538) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110270538
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C17H22N6O/c1-4-14(24)23-9-5-6-13(23)15-16(19-8-7-18-15)22-17-20-11(2)10-12(3)21-17/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20,21,22)
InChIKeySDDPVBVPZFJDMQ-UHFFFAOYSA-N
XLogP2.70
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 110270538) is 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cc(C)n1.
What is the InChIKey of 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is SDDPVBVPZFJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-14(24)23-9-5-6-13(23)15-16(19-8-7-18-15)22-17-20-11(2)10-12(3)21-17/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20,21,22).
What are the key properties of 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).