N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine

C12H18N4 — CID 115747108

IUPACN-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1cnc2ncccn12
InChIInChI=1S/C12H18N4/c1-3-5-10(2)14-8-11-9-15-12-13-6-4-7-16(11)12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyDKXXNAIWYFCCNC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.01
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine

N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine (PubChem CID 115747108) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine
PubChem CID115747108
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1cnc2ncccn12
InChIInChI=1S/C12H18N4/c1-3-5-10(2)14-8-11-9-15-12-13-6-4-7-16(11)12/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyDKXXNAIWYFCCNC-UHFFFAOYSA-N
XLogP2.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine (CID 115747108) is N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine is CCCC(C)NCc1cnc2ncccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine?
The InChIKey is DKXXNAIWYFCCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-5-10(2)14-8-11-9-15-12-13-6-4-7-16(11)12/h4,6-7,9-10,14H,3,5,8H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine?
N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pentan-2-amine is sourced from PubChem (CID 115747108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).