4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine

C12H18N6 — CID 134569298

IUPAC4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCC1=CN=N1
InChIInChI=1S/C12H18N6/c1-2-3-6-14-11-9(7-15-12(13)17-11)4-5-10-8-16-18-10/h7-8H,2-6H2,1H3,(H3,13,14,15,17)
InChIKeyGMHUFXGIURRIMI-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.51
Rot. Bonds7

About 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine

4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 134569298) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID134569298
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCC1=CN=N1
InChIInChI=1S/C12H18N6/c1-2-3-6-14-11-9(7-15-12(13)17-11)4-5-10-8-16-18-10/h7-8H,2-6H2,1H3,(H3,13,14,15,17)
InChIKeyGMHUFXGIURRIMI-UHFFFAOYSA-N
XLogP2.51
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
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
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
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 118332675
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine (CID 134569298) is 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1CCC1=CN=N1.
What is the InChIKey of 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is GMHUFXGIURRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-3-6-14-11-9(7-15-12(13)17-11)4-5-10-8-16-18-10/h7-8H,2-6H2,1H3,(H3,13,14,15,17).
What are the key properties of 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine?
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).