3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride

C14H22Cl2N4O2 — CID 118626561

IUPAC3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1.Cl
InChIInChI=1S/C14H21ClN4O2.ClH/c1-9-8-20-4-3-19(9)14-17-12(15)7-13(18-14)21-11-5-10(6-11)16-2;/h7,9-11,16H,3-6,8H2,1-2H3;1H/t9-,10?,11?;/m0./s1
InChIKeyMTVDQJRLCVJJON-IGUXDCQPSA-N
MW349.26 g/mol
LogP1.91
Rot. Bonds4

About 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride

3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 118626561) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID118626561
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC Name3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1.Cl
InChIInChI=1S/C14H21ClN4O2.ClH/c1-9-8-20-4-3-19(9)14-17-12(15)7-13(18-14)21-11-5-10(6-11)16-2;/h7,9-11,16H,3-6,8H2,1-2H3;1H/t9-,10?,11?;/m0./s1
InChIKeyMTVDQJRLCVJJON-IGUXDCQPSA-N
XLogP1.91
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride (CID 118626561) is 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride is CNC1CC(Oc2cc(Cl)nc(N3CCOC[C@@H]3C)n2)C1.Cl.
What is the InChIKey of 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is MTVDQJRLCVJJON-IGUXDCQPSA-N. The full InChI is InChI=1S/C14H21ClN4O2.ClH/c1-9-8-20-4-3-19(9)14-17-12(15)7-13(18-14)21-11-5-10(6-11)16-2;/h7,9-11,16H,3-6,8H2,1-2H3;1H/t9-,10?,11?;/m0./s1.
What are the key properties of 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride?
3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxy-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 118626561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).