N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine

C10H18N4 — CID 117212541

IUPACN'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCc1nc(C)c(NCCCN)c(C)n1
InChIInChI=1S/C10H18N4/c1-7-10(12-6-4-5-11)8(2)14-9(3)13-7/h12H,4-6,11H2,1-3H3
InChIKeyYPODWAGAZKDINZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.16
Rot. Bonds4

About N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine

N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117212541) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117212541
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
SMILESCc1nc(C)c(NCCCN)c(C)n1
InChIInChI=1S/C10H18N4/c1-7-10(12-6-4-5-11)8(2)14-9(3)13-7/h12H,4-6,11H2,1-3H3
InChIKeyYPODWAGAZKDINZ-UHFFFAOYSA-N
XLogP1.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.16
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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Related Compounds

N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212520
5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 117212570
N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
CID 117212536
N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine
CID 117212600
N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 174287463
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(4,6-dimethyl-2-pyridinyl)propane-1,3-diamine
CID 83828114
N'-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212501
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
CID 115201007
N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
CID 83839523

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine (CID 117212541) is N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine is Cc1nc(C)c(NCCCN)c(C)n1.
What is the InChIKey of N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is YPODWAGAZKDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-10(12-6-4-5-11)8(2)14-9(3)13-7/h12H,4-6,11H2,1-3H3.
What are the key properties of N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117212541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).