2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine

C20H24N6O — CID 71272463

IUPAC2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCCc1nc(NCc2cnn(C)c2)cc(OCC2CC2c2ccccn2)n1
InChIInChI=1S/C20H24N6O/c1-3-18-24-19(22-10-14-11-23-26(2)12-14)9-20(25-18)27-13-15-8-16(15)17-6-4-5-7-21-17/h4-7,9,11-12,15-16H,3,8,10,13H2,1-2H3,(H,22,24,25)
InChIKeyXOOGTCKSDYCAQG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds8

About 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine (PubChem CID 71272463) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
PubChem CID71272463
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCCc1nc(NCc2cnn(C)c2)cc(OCC2CC2c2ccccn2)n1
InChIInChI=1S/C20H24N6O/c1-3-18-24-19(22-10-14-11-23-26(2)12-14)9-20(25-18)27-13-15-8-16(15)17-6-4-5-7-21-17/h4-7,9,11-12,15-16H,3,8,10,13H2,1-2H3,(H,22,24,25)
InChIKeyXOOGTCKSDYCAQG-UHFFFAOYSA-N
XLogP2.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine (CID 71272463) is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine is CCc1nc(NCc2cnn(C)c2)cc(OCC2CC2c2ccccn2)n1.
What is the InChIKey of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The InChIKey is XOOGTCKSDYCAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-18-24-19(22-10-14-11-23-26(2)12-14)9-20(25-18)27-13-15-8-16(15)17-6-4-5-7-21-17/h4-7,9,11-12,15-16H,3,8,10,13H2,1-2H3,(H,22,24,25).
What are the key properties of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71272463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).