N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine

C7H13N3 — CID 163525402

IUPACN,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC(C)=CC(C)N1
InChIInChI=1S/C7H13N3/c1-5-4-6(2)10-7(8-3)9-5/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyDOHTUVHYPWQNNO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.46
Rot. Bonds

About N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine

N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 163525402) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound NameN,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID163525402
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC(C)=CC(C)N1
InChIInChI=1S/C7H13N3/c1-5-4-6(2)10-7(8-3)9-5/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyDOHTUVHYPWQNNO-UHFFFAOYSA-N
XLogP0.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
2,4,6-Trimethyl-1,2,3,4-tetrahydropyrimidine
CID 118857303
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
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-propan-2-yl-1,4-dihydropyrimidine
CID 129200466
6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
CID 135136382
2-Chloro-4,6-dimethyl-1,4-dihydropyrimidine
CID 138461165
4,6-Dimethyl-1,4-dihydropyrimidine;ethane
CID 144939817
4,6-dimethyl-1H-pyrimidin-4-ide;lawrencium
CID 145531779

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 163525402) is N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine is C/N=C1\NC(C)=CC(C)N1.
What is the InChIKey of N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is DOHTUVHYPWQNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-4-6(2)10-7(8-3)9-5/h4-5H,1-3H3,(H2,8,9,10).
What are the key properties of N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 139.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 163525402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).