N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

C13H23N3 — CID 155607065

IUPACN-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCN(c1ncc(CC(C)C)cn1)C(C)C
InChIInChI=1S/C13H23N3/c1-6-16(11(4)5)13-14-8-12(9-15-13)7-10(2)3/h8-11H,6-7H2,1-5H3
InChIKeyCFOXJQFKCJGKPV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine

N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 155607065) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID155607065
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCN(c1ncc(CC(C)C)cn1)C(C)C
InChIInChI=1S/C13H23N3/c1-6-16(11(4)5)13-14-8-12(9-15-13)7-10(2)3/h8-11H,6-7H2,1-5H3
InChIKeyCFOXJQFKCJGKPV-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine
CID 130703075
2-N-[5-(chloromethyl)pyrimidin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189857
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanenitrile
CID 116977973
[5-(2-methylpropyl)pyrimidin-2-yl]methanamine
CID 83695012
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanoic acid
CID 116977768
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
5-(chloromethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
CID 113387964
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
5-(2-methylpropyl)pyrimidine-2-carboxylic acid
CID 84732267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine (CID 155607065) is N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is CCN(c1ncc(CC(C)C)cn1)C(C)C.
What is the InChIKey of N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is CFOXJQFKCJGKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-16(11(4)5)13-14-8-12(9-15-13)7-10(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine?
N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155607065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).