N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine

C7H12N4 — CID 62658944

IUPACN-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
SMILESCNCCNc1ccncn1
InChIInChI=1S/C7H12N4/c1-8-4-5-10-7-2-3-9-6-11-7/h2-3,6,8H,4-5H2,1H3,(H,9,10,11)
InChIKeyLXJICHIPHJZAGN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.11
Rot. Bonds4

About N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine

N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 62658944) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
PubChem CID62658944
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
SMILESCNCCNc1ccncn1
InChIInChI=1S/C7H12N4/c1-8-4-5-10-7-2-3-9-6-11-7/h2-3,6,8H,4-5H2,1H3,(H,9,10,11)
InChIKeyLXJICHIPHJZAGN-UHFFFAOYSA-N
XLogP0.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine (CID 62658944) is N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine is CNCCNc1ccncn1.
What is the InChIKey of N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is LXJICHIPHJZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-8-4-5-10-7-2-3-9-6-11-7/h2-3,6,8H,4-5H2,1H3,(H,9,10,11).
What are the key properties of N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine?
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62658944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).