5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine

C17H18ClN5O — CID 134373197

IUPAC5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine
SMILESCc1ncnc(NC(C)COc2ccnn2-c2ccccc2)c1Cl
InChIInChI=1S/C17H18ClN5O/c1-12(22-17-16(18)13(2)19-11-20-17)10-24-15-8-9-21-23(15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,19,20,22)
InChIKeyYTQLWLFMNHLZRZ-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.50
Rot. Bonds6

About 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine

5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine (PubChem CID 134373197) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine
PubChem CID134373197
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine
SMILESCc1ncnc(NC(C)COc2ccnn2-c2ccccc2)c1Cl
InChIInChI=1S/C17H18ClN5O/c1-12(22-17-16(18)13(2)19-11-20-17)10-24-15-8-9-21-23(15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,19,20,22)
InChIKeyYTQLWLFMNHLZRZ-UHFFFAOYSA-N
XLogP3.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine (CID 134373197) is 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine is Cc1ncnc(NC(C)COc2ccnn2-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine?
The InChIKey is YTQLWLFMNHLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-12(22-17-16(18)13(2)19-11-20-17)10-24-15-8-9-21-23(15)14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,19,20,22).
What are the key properties of 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine?
5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine has a molecular weight of 343.82 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 134373197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).