N-benzyl-2-propan-2-ylpyrimidin-4-amine

C14H17N3 — CID 164867803

IUPACN-benzyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11(2)14-15-9-8-13(17-14)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17)
InChIKeyODKFLXWPOVLOMV-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-2-propan-2-ylpyrimidin-4-amine

N-benzyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 164867803) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID164867803
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-benzyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11(2)14-15-9-8-13(17-14)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17)
InChIKeyODKFLXWPOVLOMV-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 139019891
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133449263
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
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
N-benzyl-2-propan-2-ylpyridin-4-amine
CID 176809987
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-propan-2-ylpyrimidin-4-amine (CID 164867803) is N-benzyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ODKFLXWPOVLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(2)14-15-9-8-13(17-14)16-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-benzyl-2-propan-2-ylpyrimidin-4-amine?
N-benzyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 164867803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).