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

C16H21N3 — CID 133304175

IUPACN-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ccnc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-13-5-7-14(8-6-13)11-18-15-9-10-17-16(19-15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyWVMZWQKFRVZBPG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.77
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 133304175) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID133304175
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccc(CNc2ccnc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-13-5-7-14(8-6-13)11-18-15-9-10-17-16(19-15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyWVMZWQKFRVZBPG-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-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 139019891
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 133434731
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 133297213

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 133304175) is N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine is CCc1ccc(CNc2ccnc(C(C)C)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WVMZWQKFRVZBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-13-5-7-14(8-6-13)11-18-15-9-10-17-16(19-15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
N-[(4-ethylphenyl)methyl]-2-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-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133304175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).