4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine

C13H24N4 — CID 18737835

IUPAC4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
SMILESCCCCNc1cnc(C)nc1NCCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-14-12-10-16-11(3)17-13(12)15-9-7-5-2/h10,14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyPDLADJPPSCHZHC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds8

About 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine

4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine (PubChem CID 18737835) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
PubChem CID18737835
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
SMILESCCCCNc1cnc(C)nc1NCCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-14-12-10-16-11(3)17-13(12)15-9-7-5-2/h10,14H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyPDLADJPPSCHZHC-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.21
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-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889
N-butyl-2-methyl-5-[3-(2,4,5-trimethoxyphenyl)propoxy]pyrimidin-4-amine
CID 134569035
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 118332675
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
1-[[4-(butylamino)-2-methylpyrimidin-5-yl]methyl]-4-methylpyridin-2-one
CID 121288788
N-butyl-2,9-dimethylpurin-8-amine
CID 171384557
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
N-ethyl-2,4-dimethylpyrimidin-5-amine
CID 171795790
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one
CID 121288989

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine (CID 18737835) is 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine is CCCCNc1cnc(C)nc1NCCCC.
What is the InChIKey of 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine?
The InChIKey is PDLADJPPSCHZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-8-14-12-10-16-11(3)17-13(12)15-9-7-5-2/h10,14H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine?
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 18737835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).