5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine

C15H27N3 — CID 114211038

IUPAC5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine
SMILESCCCNC(CCCC(C)(C)C)c1cncnc1
InChIInChI=1S/C15H27N3/c1-5-9-18-14(7-6-8-15(2,3)4)13-10-16-12-17-11-13/h10-12,14,18H,5-9H2,1-4H3
InChIKeyGXXSJZMRENFMMQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.73
Rot. Bonds7

About 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine

5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine (PubChem CID 114211038) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine
PubChem CID114211038
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine
SMILESCCCNC(CCCC(C)(C)C)c1cncnc1
InChIInChI=1S/C15H27N3/c1-5-9-18-14(7-6-8-15(2,3)4)13-10-16-12-17-11-13/h10-12,14,18H,5-9H2,1-4H3
InChIKeyGXXSJZMRENFMMQ-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 79405986
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-propyl-1-pyrimidin-5-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105119127
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine (CID 114211038) is 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine is CCCNC(CCCC(C)(C)C)c1cncnc1.
What is the InChIKey of 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine?
The InChIKey is GXXSJZMRENFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-9-18-14(7-6-8-15(2,3)4)13-10-16-12-17-11-13/h10-12,14,18H,5-9H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine?
5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine is sourced from PubChem (CID 114211038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).