5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine

C12H20N4 — CID 174338529

IUPAC5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine
SMILESC=C1N/C(=N\C)NC(N/C=C(/C)CC)=C1C
InChIInChI=1S/C12H20N4/c1-6-8(2)7-14-11-9(3)10(4)15-12(13-5)16-11/h7,14H,4,6H2,1-3,5H3,(H2,13,15,16)/b8-7-
InChIKeyWILVDYPMCGWBOG-FPLPWBNLSA-N
MW220.32 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine

5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine (PubChem CID 174338529) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine
PubChem CID174338529
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine
SMILESC=C1N/C(=N\C)NC(N/C=C(/C)CC)=C1C
InChIInChI=1S/C12H20N4/c1-6-8(2)7-14-11-9(3)10(4)15-12(13-5)16-11/h7,14H,4,6H2,1-3,5H3,(H2,13,15,16)/b8-7-
InChIKeyWILVDYPMCGWBOG-FPLPWBNLSA-N
XLogP1.81
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine?
The IUPAC name of 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine (CID 174338529) is 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine?
The canonical SMILES for 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine is C=C1N/C(=N\C)NC(N/C=C(/C)CC)=C1C.
What is the InChIKey of 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine?
The InChIKey is WILVDYPMCGWBOG-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-8(2)7-14-11-9(3)10(4)15-12(13-5)16-11/h7,14H,4,6H2,1-3,5H3,(H2,13,15,16)/b8-7-.
What are the key properties of 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine?
5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine has a molecular weight of 220.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine is sourced from PubChem (CID 174338529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).