1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

C11H18N6 — CID 122125841

IUPAC1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESC=CCn1cc(CNC2=NCCCN2C)nn1
InChIInChI=1S/C11H18N6/c1-3-6-17-9-10(14-15-17)8-13-11-12-5-4-7-16(11)2/h3,9H,1,4-8H2,2H3,(H,12,13)
InChIKeyAVOUIRMKVRADSW-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.25
Rot. Bonds4

About 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122125841) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122125841
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESC=CCn1cc(CNC2=NCCCN2C)nn1
InChIInChI=1S/C11H18N6/c1-3-6-17-9-10(14-15-17)8-13-11-12-5-4-7-16(11)2/h3,9H,1,4-8H2,2H3,(H,12,13)
InChIKeyAVOUIRMKVRADSW-UHFFFAOYSA-N
XLogP0.25
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971559
(1-prop-2-enyltriazol-4-yl)methanol
CID 82204783
4-(methylsulfonylmethyl)-1-prop-2-enyltriazole
CID 82204813
1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 154799371
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
N-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096128
1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096225
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095638
1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096061
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 122125841) is 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is C=CCn1cc(CNC2=NCCCN2C)nn1.
What is the InChIKey of 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is AVOUIRMKVRADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-6-17-9-10(14-15-17)8-13-11-12-5-4-7-16(11)2/h3,9H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 234.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-prop-2-enyltriazol-4-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).