N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine

C11H15N3O — CID 115657840

IUPACN-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
SMILESC#CCC(CC)Nc1nccc(OC)n1
InChIInChI=1S/C11H15N3O/c1-4-6-9(5-2)13-11-12-8-7-10(14-11)15-3/h1,7-9H,5-6H2,2-3H3,(H,12,13,14)
InChIKeyFNZILXCQSHJZSC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.70
Rot. Bonds5

About N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine

N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine (PubChem CID 115657840) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
PubChem CID115657840
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
SMILESC#CCC(CC)Nc1nccc(OC)n1
InChIInChI=1S/C11H15N3O/c1-4-6-9(5-2)13-11-12-8-7-10(14-11)15-3/h1,7-9H,5-6H2,2-3H3,(H,12,13,14)
InChIKeyFNZILXCQSHJZSC-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
CID 154837636
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine?
The IUPAC name of N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine (CID 115657840) is N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine is C#CCC(CC)Nc1nccc(OC)n1.
What is the InChIKey of N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine?
The InChIKey is FNZILXCQSHJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-9(5-2)13-11-12-8-7-10(14-11)15-3/h1,7-9H,5-6H2,2-3H3,(H,12,13,14).
What are the key properties of N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine?
N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 115657840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).