6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H25N9O3 — CID 58548401

IUPAC6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCc1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C22H25N9O3/c1-12-25-9-16(17(28-12)20(32)27-10-22(2,3)34)31-21(33)18-19(29-14-6-23-11-24-7-14)26-8-15(30-18)13-4-5-13/h6-9,11,13,34H,4-5,10H2,1-3H3,(H,26,29)(H,27,32)(H,31,33)
InChIKeySMULIJAEYSPZPQ-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.74
Rot. Bonds8

About 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548401) has the molecular formula C22H25N9O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548401
Molecular FormulaC22H25N9O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCc1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C22H25N9O3/c1-12-25-9-16(17(28-12)20(32)27-10-22(2,3)34)31-21(33)18-19(29-14-6-23-11-24-7-14)26-8-15(30-18)13-4-5-13/h6-9,11,13,34H,4-5,10H2,1-3H3,(H,26,29)(H,27,32)(H,31,33)
InChIKeySMULIJAEYSPZPQ-UHFFFAOYSA-N
XLogP1.74
TPSA167.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548401) is 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cc1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1.
What is the InChIKey of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SMULIJAEYSPZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O3/c1-12-25-9-16(17(28-12)20(32)27-10-22(2,3)34)31-21(33)18-19(29-14-6-23-11-24-7-14)26-8-15(30-18)13-4-5-13/h6-9,11,13,34H,4-5,10H2,1-3H3,(H,26,29)(H,27,32)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).