2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine

C20H27ClN10O2 — CID 161217106

IUPAC2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Cl)n1.COc1ccnc(Nc2cnn(C)c2C)n1.Cc1c(N)cnn1C
InChIInChI=1S/C10H13N5O.C5H5ClN2O.C5H9N3/c1-7-8(6-12-15(7)2)13-10-11-5-4-9(14-10)16-3;1-9-4-2-3-7-5(6)8-4;1-4-5(6)3-7-8(4)2/h4-6H,1-3H3,(H,11,13,14);2-3H,1H3;3H,6H2,1-2H3
InChIKeyUWZYOUVAVPJSSG-UHFFFAOYSA-N
MW474.96 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine

2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine (PubChem CID 161217106) has the molecular formula C20H27ClN10O2 and a molecular weight of 474.96 g/mol. Its IUPAC name is 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
PubChem CID161217106
Molecular FormulaC20H27ClN10O2
Molecular Weight474.96 g/mol
Exact Mass474.20
IUPAC Name2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Cl)n1.COc1ccnc(Nc2cnn(C)c2C)n1.Cc1c(N)cnn1C
InChIInChI=1S/C10H13N5O.C5H5ClN2O.C5H9N3/c1-7-8(6-12-15(7)2)13-10-11-5-4-9(14-10)16-3;1-9-4-2-3-7-5(6)8-4;1-4-5(6)3-7-8(4)2/h4-6H,1-3H3,(H,11,13,14);2-3H,1H3;3H,6H2,1-2H3
InChIKeyUWZYOUVAVPJSSG-UHFFFAOYSA-N
XLogP2.72
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.96
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine (CID 161217106) is 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine is COc1ccnc(Cl)n1.COc1ccnc(Nc2cnn(C)c2C)n1.Cc1c(N)cnn1C.
What is the InChIKey of 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
The InChIKey is UWZYOUVAVPJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.C5H5ClN2O.C5H9N3/c1-7-8(6-12-15(7)2)13-10-11-5-4-9(14-10)16-3;1-9-4-2-3-7-5(6)8-4;1-4-5(6)3-7-8(4)2/h4-6H,1-3H3,(H,11,13,14);2-3H,1H3;3H,6H2,1-2H3.
What are the key properties of 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine?
2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine has a molecular weight of 474.96 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 161217106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).