N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine

C15H16N6O — CID 86804406

IUPACN-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(Oc2cccnc2)c1CNc1ncccn1
InChIInChI=1S/C15H16N6O/c1-11-13(10-19-15-17-7-4-8-18-15)14(21(2)20-11)22-12-5-3-6-16-9-12/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyRTJGMQIBZHRWGB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds5

About N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine

N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 86804406) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID86804406
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(Oc2cccnc2)c1CNc1ncccn1
InChIInChI=1S/C15H16N6O/c1-11-13(10-19-15-17-7-4-8-18-15)14(21(2)20-11)22-12-5-3-6-16-9-12/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyRTJGMQIBZHRWGB-UHFFFAOYSA-N
XLogP2.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine (CID 86804406) is N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine is Cc1nn(C)c(Oc2cccnc2)c1CNc1ncccn1.
What is the InChIKey of N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is RTJGMQIBZHRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-13(10-19-15-17-7-4-8-18-15)14(21(2)20-11)22-12-5-3-6-16-9-12/h3-9H,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine?
N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 296.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 86804406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).