4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine

C14H25N3 — CID 63988767

IUPAC4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccncn1
InChIInChI=1S/C14H25N3/c1-5-9-16-12(6-8-14(2,3)4)13-7-10-15-11-17-13/h7,10-12,16H,5-6,8-9H2,1-4H3
InChIKeyZEOBTRLPSRPHOX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.34
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine

4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine (PubChem CID 63988767) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
PubChem CID63988767
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccncn1
InChIInChI=1S/C14H25N3/c1-5-9-16-12(6-8-14(2,3)4)13-7-10-15-11-17-13/h7,10-12,16H,5-6,8-9H2,1-4H3
InChIKeyZEOBTRLPSRPHOX-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-ethyl-4,4-dimethyl-1-pyridin-2-ylpentan-1-amine
CID 62602048
N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine (CID 63988767) is 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccncn1.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
The InChIKey is ZEOBTRLPSRPHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-16-12(6-8-14(2,3)4)13-7-10-15-11-17-13/h7,10-12,16H,5-6,8-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine?
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine is sourced from PubChem (CID 63988767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).