2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C14H21N5O — CID 106715661

IUPAC2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H21N5O/c1-5-14(3,20-6-2)13-17-11(7-12(15)18-13)10-8-16-19(4)9-10/h7-9H,5-6H2,1-4H3,(H2,15,17,18)
InChIKeyPWRLQLWAPMAHAB-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715661) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715661
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H21N5O/c1-5-14(3,20-6-2)13-17-11(7-12(15)18-13)10-8-16-19(4)9-10/h7-9H,5-6H2,1-4H3,(H2,15,17,18)
InChIKeyPWRLQLWAPMAHAB-UHFFFAOYSA-N
XLogP2.12
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
6-(1-methylpyrazol-4-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716615
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 106715564
2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715661) is 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CCOC(C)(CC)c1nc(N)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is PWRLQLWAPMAHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-14(3,20-6-2)13-17-11(7-12(15)18-13)10-8-16-19(4)9-10/h7-9H,5-6H2,1-4H3,(H2,15,17,18).
What are the key properties of 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).