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

C12H17N5O — CID 97337988

IUPAC4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)[C@@H](C)c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9(10-7-14-16(2)8-10)17(3)12-13-6-5-11(15-12)18-4/h5-9H,1-4H3/t9-/m0/s1
InChIKeyYRLUCVMWQSJJIQ-VIFPVBQESA-N
MW247.30 g/mol
LogP1.42
Rot. Bonds4

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

4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 97337988) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID97337988
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)[C@@H](C)c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9(10-7-14-16(2)8-10)17(3)12-13-6-5-11(15-12)18-4/h5-9H,1-4H3/t9-/m0/s1
InChIKeyYRLUCVMWQSJJIQ-VIFPVBQESA-N
XLogP1.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine (CID 97337988) is 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine is COc1ccnc(N(C)[C@@H](C)c2cnn(C)c2)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is YRLUCVMWQSJJIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(10-7-14-16(2)8-10)17(3)12-13-6-5-11(15-12)18-4/h5-9H,1-4H3/t9-/m0/s1.
What are the key properties of 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 97337988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).