N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine

C11H20N4 — CID 116974441

IUPACN-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
SMILESCNCCCNc1ncc(C(C)C)cn1
InChIInChI=1S/C11H20N4/c1-9(2)10-7-14-11(15-8-10)13-6-4-5-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNFXZEGXSCAMMDF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine

N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 116974441) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID116974441
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
SMILESCNCCCNc1ncc(C(C)C)cn1
InChIInChI=1S/C11H20N4/c1-9(2)10-7-14-11(15-8-10)13-6-4-5-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNFXZEGXSCAMMDF-UHFFFAOYSA-N
XLogP1.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.62
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'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine (CID 116974441) is N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine is CNCCCNc1ncc(C(C)C)cn1.
What is the InChIKey of N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is NFXZEGXSCAMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)10-7-14-11(15-8-10)13-6-4-5-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine?
N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116974441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).