6-methoxy-N-pent-3-ynylpyrimidin-4-amine

C10H13N3O — CID 116644427

IUPAC6-methoxy-N-pent-3-ynylpyrimidin-4-amine
SMILESCC#CCCNc1cc(OC)ncn1
InChIInChI=1S/C10H13N3O/c1-3-4-5-6-11-9-7-10(14-2)13-8-12-9/h7-8H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyYNCNDTCJFIGLJC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.31
Rot. Bonds4

About 6-methoxy-N-pent-3-ynylpyrimidin-4-amine

6-methoxy-N-pent-3-ynylpyrimidin-4-amine (PubChem CID 116644427) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-N-pent-3-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-pent-3-ynylpyrimidin-4-amine
PubChem CID116644427
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-methoxy-N-pent-3-ynylpyrimidin-4-amine
SMILESCC#CCCNc1cc(OC)ncn1
InChIInChI=1S/C10H13N3O/c1-3-4-5-6-11-9-7-10(14-2)13-8-12-9/h7-8H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyYNCNDTCJFIGLJC-UHFFFAOYSA-N
XLogP1.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-pent-3-ynylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pent-3-ynylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-pent-3-ynylpyrimidin-4-amine (CID 116644427) is 6-methoxy-N-pent-3-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-pent-3-ynylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-pent-3-ynylpyrimidin-4-amine is CC#CCCNc1cc(OC)ncn1.
What is the InChIKey of 6-methoxy-N-pent-3-ynylpyrimidin-4-amine?
The InChIKey is YNCNDTCJFIGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-4-5-6-11-9-7-10(14-2)13-8-12-9/h7-8H,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of 6-methoxy-N-pent-3-ynylpyrimidin-4-amine?
6-methoxy-N-pent-3-ynylpyrimidin-4-amine has a molecular weight of 191.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pent-3-ynylpyrimidin-4-amine is sourced from PubChem (CID 116644427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).