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

C16H21N3 — CID 64695520

IUPACN-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccccc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C16H21N3/c1-4-13-7-5-6-8-14(13)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyYISWJBTWKFYAPX-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.77
Rot. Bonds5

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

N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 64695520) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID64695520
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccccc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C16H21N3/c1-4-13-7-5-6-8-14(13)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyYISWJBTWKFYAPX-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240558
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61241131
4-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 61240544
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 64695520) is N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CCc1ccccc1CNc1cc(C(C)C)ncn1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is YISWJBTWKFYAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-13-7-5-6-8-14(13)10-17-16-9-15(12(2)3)18-11-19-16/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 64695520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).