4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

C12H23N5 — CID 80816494

IUPAC4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCC(C)N(C)CCCCNc1cc(N)ncn1
InChIInChI=1S/C12H23N5/c1-10(2)17(3)7-5-4-6-14-12-8-11(13)15-9-16-12/h8-10H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyUBCNJHHBXLMASX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.59
Rot. Bonds7

About 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (PubChem CID 80816494) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
PubChem CID80816494
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCC(C)N(C)CCCCNc1cc(N)ncn1
InChIInChI=1S/C12H23N5/c1-10(2)17(3)7-5-4-6-14-12-8-11(13)15-9-16-12/h8-10H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyUBCNJHHBXLMASX-UHFFFAOYSA-N
XLogP1.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523207
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
CID 104534054
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (CID 80816494) is 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is CC(C)N(C)CCCCNc1cc(N)ncn1.
What is the InChIKey of 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The InChIKey is UBCNJHHBXLMASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)17(3)7-5-4-6-14-12-8-11(13)15-9-16-12/h8-10H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80816494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).