N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine

C12H21N3 — CID 63198618

IUPACN-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
SMILESCCNC(Cc1ccncn1)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-5-14-11(12(2,3)4)8-10-6-7-13-9-15-10/h6-7,9,11,14H,5,8H2,1-4H3
InChIKeyYTHKWSKUHFVSPK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine

N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine (PubChem CID 63198618) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
PubChem CID63198618
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
SMILESCCNC(Cc1ccncn1)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-5-14-11(12(2,3)4)8-10-6-7-13-9-15-10/h6-7,9,11,14H,5,8H2,1-4H3
InChIKeyYTHKWSKUHFVSPK-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
CID 106348940
N-ethyl-3,3-dimethyl-1-(4-nitro-2-pyridinyl)butan-2-amine
CID 63201814
4-(2-bromobutyl)pyrimidine
CID 63203531
4-propylpyrimidine
CID 18996562
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
N-ethyl-3,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
CID 63205876
2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
CID 79056915
1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 79253689
N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
CID 63198027

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine (CID 63198618) is N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine is CCNC(Cc1ccncn1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine?
The InChIKey is YTHKWSKUHFVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-14-11(12(2,3)4)8-10-6-7-13-9-15-10/h6-7,9,11,14H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine?
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine is sourced from PubChem (CID 63198618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).