N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine

C12H19N3O — CID 106191641

IUPACN-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC=C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-4-9-16-11-6-8-14-12(15-11)13-7-5-10(2)3/h5-6,8H,4,7,9H2,1-3H3,(H,13,14,15)
InChIKeyILYHHNBHLGYQHZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.64
Rot. Bonds6

About N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine

N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine (PubChem CID 106191641) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
PubChem CID106191641
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC=C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-4-9-16-11-6-8-14-12(15-11)13-7-5-10(2)3/h5-6,8H,4,7,9H2,1-3H3,(H,13,14,15)
InChIKeyILYHHNBHLGYQHZ-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
N-(2-chloro-4-methylpentyl)-4-propoxypyrimidin-2-amine
CID 107156240
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine (CID 106191641) is N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC=C(C)C)n1.
What is the InChIKey of N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine?
The InChIKey is ILYHHNBHLGYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9-16-11-6-8-14-12(15-11)13-7-5-10(2)3/h5-6,8H,4,7,9H2,1-3H3,(H,13,14,15).
What are the key properties of N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine?
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 106191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).