3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride

C16H20Cl2N6 — CID 142765514

IUPAC3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc2ncc(-c3cc(CCC4CCCN4)ncn3)n2c1
InChIInChI=1S/C16H18N6.2ClH/c1-3-12(17-6-1)4-5-13-9-14(21-11-20-13)15-10-19-16-18-7-2-8-22(15)16;;/h2,7-12,17H,1,3-6H2;2*1H
InChIKeyQZOSZNPCQWLYHK-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.71
Rot. Bonds4

About 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride

3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride (PubChem CID 142765514) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride
PubChem CID142765514
Molecular FormulaC16H20Cl2N6
Molecular Weight367.28 g/mol
Exact Mass366.11
IUPAC Name3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc2ncc(-c3cc(CCC4CCCN4)ncn3)n2c1
InChIInChI=1S/C16H18N6.2ClH/c1-3-12(17-6-1)4-5-13-9-14(21-11-20-13)15-10-19-16-18-7-2-8-22(15)16;;/h2,7-12,17H,1,3-6H2;2*1H
InChIKeyQZOSZNPCQWLYHK-UHFFFAOYSA-N
XLogP2.71
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553
1-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]azepane
CID 110271314
1-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]azepane
CID 95846346
3-[6-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142765504
3-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]imidazo[1,2-a]pyrimidine
CID 124994491
1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 95825247
4-(4,4-difluoropiperidin-1-yl)-6-(2-piperidin-2-ylethyl)pyrimidine
CID 110257572
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470149
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
3-[6-(2-pyrrolidin-2-ylethyl)pyrazin-2-yl]benzamide
CID 110257585
3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide
CID 95825716

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The IUPAC name of 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride (CID 142765514) is 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride.
What is the SMILES notation for 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The canonical SMILES for 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride is Cl.Cl.c1cnc2ncc(-c3cc(CCC4CCCN4)ncn3)n2c1.
What is the InChIKey of 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride?
The InChIKey is QZOSZNPCQWLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6.2ClH/c1-3-12(17-6-1)4-5-13-9-14(21-11-20-13)15-10-19-16-18-7-2-8-22(15)16;;/h2,7-12,17H,1,3-6H2;2*1H.
What are the key properties of 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride?
3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-pyrrolidin-2-ylethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrimidine;dihydrochloride is sourced from PubChem (CID 142765514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).