N-hexyl-6-methoxy-5-methylpyrimidin-4-amine

C12H21N3O — CID 66325235

IUPACN-hexyl-6-methoxy-5-methylpyrimidin-4-amine
SMILESCCCCCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyZMJZWYLAIUYGSC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds7

About N-hexyl-6-methoxy-5-methylpyrimidin-4-amine

N-hexyl-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66325235) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-hexyl-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hexyl-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66325235
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-hexyl-6-methoxy-5-methylpyrimidin-4-amine
SMILESCCCCCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-8-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyZMJZWYLAIUYGSC-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
N-ethyl-2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 106337998

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-hexyl-6-methoxy-5-methylpyrimidin-4-amine (CID 66325235) is N-hexyl-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-hexyl-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-hexyl-6-methoxy-5-methylpyrimidin-4-amine is CCCCCCNc1ncnc(OC)c1C.
What is the InChIKey of N-hexyl-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is ZMJZWYLAIUYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-7-8-13-11-10(2)12(16-3)15-9-14-11/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-hexyl-6-methoxy-5-methylpyrimidin-4-amine?
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).