6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide

C21H21N9O2 — CID 58548158

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cncnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N9O2/c31-20(29-16-9-24-12-26-17(16)21(32)30-5-1-2-6-30)18-19(27-14-7-22-11-23-8-14)25-10-15(28-18)13-3-4-13/h7-13H,1-6H2,(H,25,27)(H,29,31)
InChIKeyALBCMVKRSOUJJZ-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.17
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide (PubChem CID 58548158) has the molecular formula C21H21N9O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide
PubChem CID58548158
Molecular FormulaC21H21N9O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cncnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H21N9O2/c31-20(29-16-9-24-12-26-17(16)21(32)30-5-1-2-6-30)18-19(27-14-7-22-11-23-8-14)25-10-15(28-18)13-3-4-13/h7-13H,1-6H2,(H,25,27)(H,29,31)
InChIKeyALBCMVKRSOUJJZ-UHFFFAOYSA-N
XLogP2.17
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [5-(isoxazolidine-2-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 54760941
6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548401
2-Cyclopropyl-N-[(2r)-1-Oxo-1-(Piperidin-1-Yl)propan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 53385838
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-(2-hydroxy-ethyl)-5-methylcarbamoyl-1H-pyrazol-4-yl]-amide
CID 54759649
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759650
6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759651
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759652
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759653
6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
6-Cyclopropyl-N-(1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl)-3-(pyrazin-2-ylamino)pyrazine-2-carboxamide
CID 54760021
6-cyclopropyl-N-[5-(2,2-difluoropropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760194
6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760196

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide (CID 58548158) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide is O=C(Nc1cncnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The InChIKey is ALBCMVKRSOUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2/c31-20(29-16-9-24-12-26-17(16)21(32)30-5-1-2-6-30)18-19(27-14-7-22-11-23-8-14)25-10-15(28-18)13-3-4-13/h7-13H,1-6H2,(H,25,27)(H,29,31).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyrimidin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58548158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).