N-butyl-4,6-dimethoxypyrimidin-2-amine

C10H17N3O2 — CID 19737713

IUPACN-butyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-4-5-6-11-10-12-8(14-2)7-9(13-10)15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyGWULQLGIAFAUGG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.71
Rot. Bonds6

About N-butyl-4,6-dimethoxypyrimidin-2-amine

N-butyl-4,6-dimethoxypyrimidin-2-amine (PubChem CID 19737713) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-butyl-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4,6-dimethoxypyrimidin-2-amine
PubChem CID19737713
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-butyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-4-5-6-11-10-12-8(14-2)7-9(13-10)15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyGWULQLGIAFAUGG-UHFFFAOYSA-N
XLogP1.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
CID 106222455
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
CID 27255463

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-butyl-4,6-dimethoxypyrimidin-2-amine (CID 19737713) is N-butyl-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-butyl-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-butyl-4,6-dimethoxypyrimidin-2-amine is CCCCNc1nc(OC)cc(OC)n1.
What is the InChIKey of N-butyl-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is GWULQLGIAFAUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-6-11-10-12-8(14-2)7-9(13-10)15-3/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-butyl-4,6-dimethoxypyrimidin-2-amine?
N-butyl-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 19737713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).