5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine

C14H26N4 — CID 113388464

IUPAC5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
SMILESCCCN(CCC)c1ncc(CC(N)CC)cn1
InChIInChI=1S/C14H26N4/c1-4-7-18(8-5-2)14-16-10-12(11-17-14)9-13(15)6-3/h10-11,13H,4-9,15H2,1-3H3
InChIKeyRVNWZKFMJFKMDL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.38
Rot. Bonds8

About 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine

5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine (PubChem CID 113388464) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
PubChem CID113388464
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
SMILESCCCN(CCC)c1ncc(CC(N)CC)cn1
InChIInChI=1S/C14H26N4/c1-4-7-18(8-5-2)14-16-10-12(11-17-14)9-13(15)6-3/h10-11,13H,4-9,15H2,1-3H3
InChIKeyRVNWZKFMJFKMDL-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Chloro-5-pentylpyrimidine
CID 16756526
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
2-Chloro-5-decylpyrimidine
CID 22099083
5-(Piperidin-4-yl)pyrimidine
CID 24904194
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
N-(2-azepan-1-ylethyl)-5-ethyl-2-methylpyrimidin-4-amine
CID 50971967
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine (CID 113388464) is 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine is CCCN(CCC)c1ncc(CC(N)CC)cn1.
What is the InChIKey of 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine?
The InChIKey is RVNWZKFMJFKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-18(8-5-2)14-16-10-12(11-17-14)9-13(15)6-3/h10-11,13H,4-9,15H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine?
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine is sourced from PubChem (CID 113388464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).