5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C12H16ClN5O — CID 100690694

IUPAC5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCN(Cc1cnn(C)c1)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H16ClN5O/c1-4-18(8-9-5-15-17(2)7-9)11-10(13)6-14-12(16-11)19-3/h5-7H,4,8H2,1-3H3
InChIKeyMQSJSGKDHIMZJQ-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.90
Rot. Bonds5

About 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 100690694) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID100690694
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCN(Cc1cnn(C)c1)c1nc(OC)ncc1Cl
InChIInChI=1S/C12H16ClN5O/c1-4-18(8-9-5-15-17(2)7-9)11-10(13)6-14-12(16-11)19-3/h5-7H,4,8H2,1-3H3
InChIKeyMQSJSGKDHIMZJQ-UHFFFAOYSA-N
XLogP1.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 100690694) is 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is CCN(Cc1cnn(C)c1)c1nc(OC)ncc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is MQSJSGKDHIMZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-4-18(8-9-5-15-17(2)7-9)11-10(13)6-14-12(16-11)19-3/h5-7H,4,8H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 100690694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).