5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine

C14H18N4 — CID 80977319

IUPAC5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Cc1ccncc1
InChIInChI=1S/C14H18N4/c1-9(2)14-17-12(10(3)13(15)18-14)8-11-4-6-16-7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,17,18)
InChIKeyYFGFHZMHNFRLAX-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.48
Rot. Bonds3

About 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80977319) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID80977319
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Cc1ccncc1
InChIInChI=1S/C14H18N4/c1-9(2)14-17-12(10(3)13(15)18-14)8-11-4-6-16-7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,17,18)
InChIKeyYFGFHZMHNFRLAX-UHFFFAOYSA-N
XLogP2.48
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 80977319) is 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1Cc1ccncc1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YFGFHZMHNFRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)14-17-12(10(3)13(15)18-14)8-11-4-6-16-7-5-11/h4-7,9H,8H2,1-3H3,(H2,15,17,18).
What are the key properties of 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80977319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).