2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride

C16H29Cl2N5O — CID 154907691

IUPAC2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride
SMILESCc1nc(N2CCCC2)nc(N2CCOC(CCN)C2)c1C.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-12-13(2)18-16(20-7-3-4-8-20)19-15(12)21-9-10-22-14(11-21)5-6-17;;/h14H,3-11,17H2,1-2H3;2*1H
InChIKeyGPHZKPYFKUKRLS-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride

2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride (PubChem CID 154907691) has the molecular formula C16H29Cl2N5O and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride
PubChem CID154907691
Molecular FormulaC16H29Cl2N5O
Molecular Weight378.35 g/mol
Exact Mass377.17
IUPAC Name2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride
SMILESCc1nc(N2CCCC2)nc(N2CCOC(CCN)C2)c1C.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-12-13(2)18-16(20-7-3-4-8-20)19-15(12)21-9-10-22-14(11-21)5-6-17;;/h14H,3-11,17H2,1-2H3;2*1H
InChIKeyGPHZKPYFKUKRLS-UHFFFAOYSA-N
XLogP2.09
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 56913328
2-(morpholin-4-ylmethyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 146148962
(3R,4S)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 133122173
9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 135112086
[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
CID 125436137
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
2-[(2R)-4-(4-propan-2-ylpyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 97187203
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
(4S,5S)-9-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 165420578
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride (CID 154907691) is 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride is Cc1nc(N2CCCC2)nc(N2CCOC(CCN)C2)c1C.Cl.Cl.
What is the InChIKey of 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride?
The InChIKey is GPHZKPYFKUKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2ClH/c1-12-13(2)18-16(20-7-3-4-8-20)19-15(12)21-9-10-22-14(11-21)5-6-17;;/h14H,3-11,17H2,1-2H3;2*1H.
What are the key properties of 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride?
2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 154907691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).