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

C14H18ClN5O2 — CID 69281706

IUPAC5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-9-12(8-17-20(9)10-3-5-22-6-4-10)18-14-16-7-11(15)13(19-14)21-2/h7-8,10H,3-6H2,1-2H3,(H,16,18,19)
InChIKeySMPBEXACOUQNJF-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.74
Rot. Bonds4

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

5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 69281706) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID69281706
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-9-12(8-17-20(9)10-3-5-22-6-4-10)18-14-16-7-11(15)13(19-14)21-2/h7-8,10H,3-6H2,1-2H3,(H,16,18,19)
InChIKeySMPBEXACOUQNJF-UHFFFAOYSA-N
XLogP2.74
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 69281706) is 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is COc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1Cl.
What is the InChIKey of 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is SMPBEXACOUQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-9-12(8-17-20(9)10-3-5-22-6-4-10)18-14-16-7-11(15)13(19-14)21-2/h7-8,10H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 323.78 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 69281706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).