N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

C18H18N10O2 — CID 70234907

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3cnc(-n4ccnn4)cn3)ccn2)N=C1N
InChIInChI=1S/C18H18N10O2/c1-18(8-15(29)27(2)17(19)25-18)13-7-11(3-4-20-13)24-16(30)12-9-22-14(10-21-12)28-6-5-23-26-28/h3-7,9-10H,8H2,1-2H3,(H2,19,25)(H,20,24,30)
InChIKeyZKTAGEZNKKJFAP-UHFFFAOYSA-N
MW406.41 g/mol
LogP0.10
Rot. Bonds4

About N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 70234907) has the molecular formula C18H18N10O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
PubChem CID70234907
Molecular FormulaC18H18N10O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3cnc(-n4ccnn4)cn3)ccn2)N=C1N
InChIInChI=1S/C18H18N10O2/c1-18(8-15(29)27(2)17(19)25-18)13-7-11(3-4-20-13)24-16(30)12-9-22-14(10-21-12)28-6-5-23-26-28/h3-7,9-10H,8H2,1-2H3,(H2,19,25)(H,20,24,30)
InChIKeyZKTAGEZNKKJFAP-UHFFFAOYSA-N
XLogP0.10
TPSA157.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide (CID 70234907) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3cnc(-n4ccnn4)cn3)ccn2)N=C1N.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is ZKTAGEZNKKJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N10O2/c1-18(8-15(29)27(2)17(19)25-18)13-7-11(3-4-20-13)24-16(30)12-9-22-14(10-21-12)28-6-5-23-26-28/h3-7,9-10H,8H2,1-2H3,(H2,19,25)(H,20,24,30).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-(triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70234907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).