N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine

C9H18N4 — CID 146777793

IUPACN-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
SMILESCNCN=C1NC(C)=CC(C)N1C
InChIInChI=1S/C9H18N4/c1-7-5-8(2)13(4)9(12-7)11-6-10-3/h5,8,10H,6H2,1-4H3,(H,11,12)
InChIKeyRTBIVCNZASWIKN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.35
Rot. Bonds2

About N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine

N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine (PubChem CID 146777793) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
PubChem CID146777793
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
SMILESCNCN=C1NC(C)=CC(C)N1C
InChIInChI=1S/C9H18N4/c1-7-5-8(2)13(4)9(12-7)11-6-10-3/h5,8,10H,6H2,1-4H3,(H,11,12)
InChIKeyRTBIVCNZASWIKN-UHFFFAOYSA-N
XLogP0.35
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrimidinamine, 1,6-dihydro-N,N,4,6,6-pentamethyl-
CID 157034
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
CID 118972846
N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine
CID 118973127
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
CID 126694644
6-Ethyl-1,4-dihydropyrimidine-2,4-diamine
CID 126732468
4-methyl-6-[1-(methylamino)ethyl]-1H-pyrimidin-4-amine
CID 135136164
2-butan-2-ylimino-N,6,6-trimethyl-1,3-dihydropyrimidin-4-amine
CID 136420950
4,6-Dimethyl-1,4-dihydropyrimidine;ethane
CID 144939817
1-Cyclohepta-1,4,6-trien-1-yl-3-ethyl-1,2-dimethylguanidine
CID 146532026
4-N,4-diethyl-6-propyl-1H-pyrimidine-2,4-diamine
CID 152619293

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine?
The IUPAC name of N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine (CID 146777793) is N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine.
What is the SMILES notation for N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine?
The canonical SMILES for N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine is CNCN=C1NC(C)=CC(C)N1C.
What is the InChIKey of N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine?
The InChIKey is RTBIVCNZASWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7-5-8(2)13(4)9(12-7)11-6-10-3/h5,8,10H,6H2,1-4H3,(H,11,12).
What are the key properties of N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine?
N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine has a molecular weight of 182.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine is sourced from PubChem (CID 146777793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).