N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine

C6H11N3 — CID 136937320

IUPACN,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=C(C)CN1
InChIInChI=1S/C6H11N3/c1-5-3-8-6(7-2)9-4-5/h3H,4H2,1-2H3,(H2,7,8,9)
InChIKeyLMSFTRKXGQDNPP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.07
Rot. Bonds

About N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine

N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 136937320) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID136937320
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=C(C)CN1
InChIInChI=1S/C6H11N3/c1-5-3-8-6(7-2)9-4-5/h3H,4H2,1-2H3,(H2,7,8,9)
InChIKeyLMSFTRKXGQDNPP-UHFFFAOYSA-N
XLogP0.07
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 136937320) is N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is C/N=C1\NC=C(C)CN1.
What is the InChIKey of N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is LMSFTRKXGQDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-3-8-6(7-2)9-4-5/h3H,4H2,1-2H3,(H2,7,8,9).
What are the key properties of N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 125.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 136937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).