5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

C13H16N4O — CID 1470715

IUPAC5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)C
InChIInChI=1S/C13H16N4O/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyVGIYTWUCLMICKF-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.37
Rot. Bonds4

About 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 1470715) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID1470715
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)C
InChIInChI=1S/C13H16N4O/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyVGIYTWUCLMICKF-UHFFFAOYSA-N
XLogP2.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (CID 1470715) is 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NC(C)C.
What is the InChIKey of 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is VGIYTWUCLMICKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 1470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).