N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine

C12H22N4 — CID 90782623

IUPACN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
SMILESCC=C(/C=N/C)C1=C(C)C(NC)NCN1C
InChIInChI=1S/C12H22N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7,12,14-15H,8H2,1-5H3/b10-6?,13-7+
InChIKeyBQHYPEBITCNADE-XNPQEMJOSA-N
MW222.34 g/mol
LogP0.95
Rot. Bonds3

About N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine

N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine (PubChem CID 90782623) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
PubChem CID90782623
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
SMILESCC=C(/C=N/C)C1=C(C)C(NC)NCN1C
InChIInChI=1S/C12H22N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7,12,14-15H,8H2,1-5H3/b10-6?,13-7+
InChIKeyBQHYPEBITCNADE-XNPQEMJOSA-N
XLogP0.95
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine?
The IUPAC name of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine (CID 90782623) is N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine.
What is the SMILES notation for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine?
The canonical SMILES for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine is CC=C(/C=N/C)C1=C(C)C(NC)NCN1C.
What is the InChIKey of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine?
The InChIKey is BQHYPEBITCNADE-XNPQEMJOSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7,12,14-15H,8H2,1-5H3/b10-6?,13-7+.
What are the key properties of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine?
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine has a molecular weight of 222.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine is sourced from PubChem (CID 90782623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).