4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide

C19H22N6O3 — CID 25183559

IUPAC4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NCC(C)C)nnc23)c(OC)n1
InChIInChI=1S/C19H22N6O3/c1-10(2)8-21-17(26)16-14(20)12-7-5-6-11(15(12)24-25-16)13-9-22-19(28-4)23-18(13)27-3/h5-7,9-10H,8H2,1-4H3,(H2,20,24)(H,21,26)
InChIKeyBYTFPQHOTXJIIA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide

4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide (PubChem CID 25183559) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide
PubChem CID25183559
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NCC(C)C)nnc23)c(OC)n1
InChIInChI=1S/C19H22N6O3/c1-10(2)8-21-17(26)16-14(20)12-7-5-6-11(15(12)24-25-16)13-9-22-19(28-4)23-18(13)27-3/h5-7,9-10H,8H2,1-4H3,(H2,20,24)(H,21,26)
InChIKeyBYTFPQHOTXJIIA-UHFFFAOYSA-N
XLogP2.07
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide (CID 25183559) is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide is COc1ncc(-c2cccc3c(N)c(C(=O)NCC(C)C)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide?
The InChIKey is BYTFPQHOTXJIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-10(2)8-21-17(26)16-14(20)12-7-5-6-11(15(12)24-25-16)13-9-22-19(28-4)23-18(13)27-3/h5-7,9-10H,8H2,1-4H3,(H2,20,24)(H,21,26).
What are the key properties of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide?
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide is sourced from PubChem (CID 25183559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).