4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine

C12H22N4 — CID 80836327

IUPAC4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCCCCCNc1nc(C)nc(N)c1C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-8-14-12-9(2)11(13)15-10(3)16-12/h4-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyAYBNFGWVLAVPBJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.67
Rot. Bonds6

About 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80836327) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80836327
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCCCCCNc1nc(C)nc(N)c1C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-8-14-12-9(2)11(13)15-10(3)16-12/h4-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyAYBNFGWVLAVPBJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.67
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

6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 114009519
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80817023
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine (CID 80836327) is 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine is CCCCCCNc1nc(C)nc(N)c1C.
What is the InChIKey of 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is AYBNFGWVLAVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-5-6-7-8-14-12-9(2)11(13)15-10(3)16-12/h4-8H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80836327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).