N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine

C20H27N7 — CID 22488261

IUPACN'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)c1cc(N(C)CCCNCc2ccccn2)nc(-n2ccnc2)n1
InChIInChI=1S/C20H27N7/c1-16(2)18-13-19(25-20(24-18)27-12-10-22-15-27)26(3)11-6-8-21-14-17-7-4-5-9-23-17/h4-5,7,9-10,12-13,15-16,21H,6,8,11,14H2,1-3H3
InChIKeyDPPJHOYDIVITAH-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.80
Rot. Bonds9

About N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine

N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 22488261) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID22488261
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC NameN'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)c1cc(N(C)CCCNCc2ccccn2)nc(-n2ccnc2)n1
InChIInChI=1S/C20H27N7/c1-16(2)18-13-19(25-20(24-18)27-12-10-22-15-27)26(3)11-6-8-21-14-17-7-4-5-9-23-17/h4-5,7,9-10,12-13,15-16,21H,6,8,11,14H2,1-3H3
InChIKeyDPPJHOYDIVITAH-UHFFFAOYSA-N
XLogP2.80
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 11537324
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
N'-isoquinolin-7-yl-N-(pyridin-2-ylmethyl)butane-1,4-diamine
CID 176618664
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942

Frequently Asked Questions

What is the IUPAC name of N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 22488261) is N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine is CC(C)c1cc(N(C)CCCNCc2ccccn2)nc(-n2ccnc2)n1.
What is the InChIKey of N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DPPJHOYDIVITAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-16(2)18-13-19(25-20(24-18)27-12-10-22-15-27)26(3)11-6-8-21-14-17-7-4-5-9-23-17/h4-5,7,9-10,12-13,15-16,21H,6,8,11,14H2,1-3H3.
What are the key properties of N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 365.49 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 22488261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).