N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C14H18N4 — CID 55204242

IUPACN-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1cccnc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C14H18N4/c1-10(2)12-7-14(18-9-17-12)16-8-13-11(3)5-4-6-15-13/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyWQFMKCDFHZHASF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.92
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 55204242) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID55204242
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1cccnc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C14H18N4/c1-10(2)12-7-14(18-9-17-12)16-8-13-11(3)5-4-6-15-13/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyWQFMKCDFHZHASF-UHFFFAOYSA-N
XLogP2.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115416985
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
CID 112650045
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247
N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61241131

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 55204242) is N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine is Cc1cccnc1CNc1cc(C(C)C)ncn1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WQFMKCDFHZHASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)12-7-14(18-9-17-12)16-8-13-11(3)5-4-6-15-13/h4-7,9-10H,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55204242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).