N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

C13H21N5 — CID 79653285

IUPACN'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1cn2cccnc2n1)CC(C)(C)CN
InChIInChI=1S/C13H21N5/c1-13(2,9-14)10-17(3)7-11-8-18-6-4-5-15-12(18)16-11/h4-6,8H,7,9-10,14H2,1-3H3
InChIKeyRSIXZRXBPFRFNY-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.15
Rot. Bonds5

About N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79653285) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79653285
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1cn2cccnc2n1)CC(C)(C)CN
InChIInChI=1S/C13H21N5/c1-13(2,9-14)10-17(3)7-11-8-18-6-4-5-15-12(18)16-11/h4-6,8H,7,9-10,14H2,1-3H3
InChIKeyRSIXZRXBPFRFNY-UHFFFAOYSA-N
XLogP1.15
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (CID 79653285) is N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is CN(Cc1cn2cccnc2n1)CC(C)(C)CN.
What is the InChIKey of N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is RSIXZRXBPFRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-13(2,9-14)10-17(3)7-11-8-18-6-4-5-15-12(18)16-11/h4-6,8H,7,9-10,14H2,1-3H3.
What are the key properties of N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79653285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).