[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine

C14H18N4 — CID 114206080

IUPAC[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
SMILESCc1ccncc1-c1ncc(CN)c(C(C)C)n1
InChIInChI=1S/C14H18N4/c1-9(2)13-11(6-15)7-17-14(18-13)12-8-16-5-4-10(12)3/h4-5,7-9H,6,15H2,1-3H3
InChIKeyJJKZFBISYYNVOS-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.43
Rot. Bonds3

About [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine

[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine (PubChem CID 114206080) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
PubChem CID114206080
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
SMILESCc1ccncc1-c1ncc(CN)c(C(C)C)n1
InChIInChI=1S/C14H18N4/c1-9(2)13-11(6-15)7-17-14(18-13)12-8-16-5-4-10(12)3/h4-5,7-9H,6,15H2,1-3H3
InChIKeyJJKZFBISYYNVOS-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine (CID 114206080) is [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine is Cc1ccncc1-c1ncc(CN)c(C(C)C)n1.
What is the InChIKey of [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine?
The InChIKey is JJKZFBISYYNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)13-11(6-15)7-17-14(18-13)12-8-16-5-4-10(12)3/h4-5,7-9H,6,15H2,1-3H3.
What are the key properties of [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine?
[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).