4-N-butyl-5-hexylpyrimidine-2,4-diamine

C14H26N4 — CID 123602752

IUPAC4-N-butyl-5-hexylpyrimidine-2,4-diamine
SMILESCCCCCCc1cnc(N)nc1NCCCC
InChIInChI=1S/C14H26N4/c1-3-5-7-8-9-12-11-17-14(15)18-13(12)16-10-6-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyPBXWCUPZJSGMST-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds9

About 4-N-butyl-5-hexylpyrimidine-2,4-diamine

4-N-butyl-5-hexylpyrimidine-2,4-diamine (PubChem CID 123602752) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butyl-5-hexylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-hexylpyrimidine-2,4-diamine
PubChem CID123602752
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butyl-5-hexylpyrimidine-2,4-diamine
SMILESCCCCCCc1cnc(N)nc1NCCCC
InChIInChI=1S/C14H26N4/c1-3-5-7-8-9-12-11-17-14(15)18-13(12)16-10-6-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyPBXWCUPZJSGMST-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.39
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

4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
CID 134569287
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
CID 134569298
5-hexylpyrimidine-2,4-diamine
CID 23086565
5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
CID 134569005
4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
CID 134569274
CID 89037212
CID 89037212
5-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889
1-[[2-amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-hexylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-hexylpyrimidine-2,4-diamine (CID 123602752) is 4-N-butyl-5-hexylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-hexylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-hexylpyrimidine-2,4-diamine is CCCCCCc1cnc(N)nc1NCCCC.
What is the InChIKey of 4-N-butyl-5-hexylpyrimidine-2,4-diamine?
The InChIKey is PBXWCUPZJSGMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-5-7-8-9-12-11-17-14(15)18-13(12)16-10-6-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-butyl-5-hexylpyrimidine-2,4-diamine?
4-N-butyl-5-hexylpyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-hexylpyrimidine-2,4-diamine is sourced from PubChem (CID 123602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).