5-hexylpyrimidine-2,4-diamine

C10H18N4 — CID 23086565

IUPAC5-hexylpyrimidine-2,4-diamine
SMILESCCCCCCc1cnc(N)nc1N
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-8-7-13-10(12)14-9(8)11/h7H,2-6H2,1H3,(H4,11,12,13,14)
InChIKeyHKIPQNFKYXADBQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds5

About 5-hexylpyrimidine-2,4-diamine

5-hexylpyrimidine-2,4-diamine (PubChem CID 23086565) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-hexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-hexylpyrimidine-2,4-diamine
PubChem CID23086565
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-hexylpyrimidine-2,4-diamine
SMILESCCCCCCc1cnc(N)nc1N
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-8-7-13-10(12)14-9(8)11/h7H,2-6H2,1H3,(H4,11,12,13,14)
InChIKeyHKIPQNFKYXADBQ-UHFFFAOYSA-N
XLogP1.76
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 134120441
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
5-[5-(4-propylsulfanylphenoxy)pentyl]pyrimidine-2,4-diamine
CID 134124663
5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
CID 15334563
5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71377421
5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810
5-(2-iodoethyl)pyrimidine-2,4-diamine
CID 130205960
5-butyl-4-methoxypyrimidin-2-amine
CID 13301093
5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531624
(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 5279633
5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112761

Frequently Asked Questions

What is the IUPAC name of 5-hexylpyrimidine-2,4-diamine?
The IUPAC name of 5-hexylpyrimidine-2,4-diamine (CID 23086565) is 5-hexylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-hexylpyrimidine-2,4-diamine?
The canonical SMILES for 5-hexylpyrimidine-2,4-diamine is CCCCCCc1cnc(N)nc1N.
What is the InChIKey of 5-hexylpyrimidine-2,4-diamine?
The InChIKey is HKIPQNFKYXADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-3-4-5-6-8-7-13-10(12)14-9(8)11/h7H,2-6H2,1H3,(H4,11,12,13,14).
What are the key properties of 5-hexylpyrimidine-2,4-diamine?
5-hexylpyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylpyrimidine-2,4-diamine is sourced from PubChem (CID 23086565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).