4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine

C11H15N3O2 — CID 106222455

IUPAC4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
SMILESC#CCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H15N3O2/c1-4-5-6-7-12-11-13-9(15-2)8-10(14-11)16-3/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyRBWNKNCZBKLWNB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds6

About 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine

4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine (PubChem CID 106222455) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
PubChem CID106222455
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
SMILESC#CCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H15N3O2/c1-4-5-6-7-12-11-13-9(15-2)8-10(14-11)16-3/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyRBWNKNCZBKLWNB-UHFFFAOYSA-N
XLogP1.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
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
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
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
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine (CID 106222455) is 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine is C#CCCCNc1nc(OC)cc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine?
The InChIKey is RBWNKNCZBKLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-5-6-7-12-11-13-9(15-2)8-10(14-11)16-3/h1,8H,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine?
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine is sourced from PubChem (CID 106222455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).