[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride

C12H18ClN5O — CID 120966937

IUPAC[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cn3cccnc3n2)CCO1
InChIInChI=1S/C12H17N5O.ClH/c13-6-11-9-16(4-5-18-11)7-10-8-17-3-1-2-14-12(17)15-10;/h1-3,8,11H,4-7,9,13H2;1H
InChIKeyOKQFNXUDIIGHAU-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.31
Rot. Bonds3

About [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride

[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120966937) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
PubChem CID120966937
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cn3cccnc3n2)CCO1
InChIInChI=1S/C12H17N5O.ClH/c13-6-11-9-16(4-5-18-11)7-10-8-17-3-1-2-14-12(17)15-10;/h1-3,8,11H,4-7,9,13H2;1H
InChIKeyOKQFNXUDIIGHAU-UHFFFAOYSA-N
XLogP0.31
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779767
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
[4-[(1-tert-butyltriazol-4-yl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844444
[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95211553
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
[4-(thiophen-2-ylmethyl)morpholin-2-yl]methanamine;dihydrochloride
CID 71432312
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 120966664

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride (CID 120966937) is [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2cn3cccnc3n2)CCO1.
What is the InChIKey of [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is OKQFNXUDIIGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.ClH/c13-6-11-9-16(4-5-18-11)7-10-8-17-3-1-2-14-12(17)15-10;/h1-3,8,11H,4-7,9,13H2;1H.
What are the key properties of [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride?
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120966937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).