2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine

C11H20N4 — CID 80786153

IUPAC2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NC)n1
InChIInChI=1S/C11H20N4/c1-4-5-6-7-13-10-8-9(2)14-11(12-3)15-10/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyKTHIUIWSUWMDPF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.43
Rot. Bonds6

About 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 80786153) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
PubChem CID80786153
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(NC)n1
InChIInChI=1S/C11H20N4/c1-4-5-6-7-13-10-8-9(2)14-11(12-3)15-10/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyKTHIUIWSUWMDPF-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.43
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-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine (CID 80786153) is 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(NC)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is KTHIUIWSUWMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-5-6-7-13-10-8-9(2)14-11(12-3)15-10/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 80786153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).