1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine

C11H18N4 — CID 143595919

IUPAC1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(C(=C/C)/C=N/C)N=C(N)N1C
InChIInChI=1S/C11H18N4/c1-5-9(7-13-3)10-6-8(2)15(4)11(12)14-10/h5,7,10H,2,6H2,1,3-4H3,(H2,12,14)/b9-5+,13-7+
InChIKeyNUYOVXAWAYSJNJ-MHUSLGGSSA-N
MW206.29 g/mol
LogP1.17
Rot. Bonds2

About 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine

1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine (PubChem CID 143595919) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine
PubChem CID143595919
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(C(=C/C)/C=N/C)N=C(N)N1C
InChIInChI=1S/C11H18N4/c1-5-9(7-13-3)10-6-8(2)15(4)11(12)14-10/h5,7,10H,2,6H2,1,3-4H3,(H2,12,14)/b9-5+,13-7+
InChIKeyNUYOVXAWAYSJNJ-MHUSLGGSSA-N
XLogP1.17
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
CID 123150157
4-methyl-3,5-dimethylidene-N-(4-methylpent-2-en-3-yl)-2,4-dihydropyrimidin-3-ium-6-amine
CID 123921130
ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461577
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine (CID 143595919) is 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine is C=C1CC(C(=C/C)/C=N/C)N=C(N)N1C.
What is the InChIKey of 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine?
The InChIKey is NUYOVXAWAYSJNJ-MHUSLGGSSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-9(7-13-3)10-6-8(2)15(4)11(12)14-10/h5,7,10H,2,6H2,1,3-4H3,(H2,12,14)/b9-5+,13-7+.
What are the key properties of 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine?
1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 143595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).