6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine

C12H20ClN5O — CID 51983136

IUPAC6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine
SMILESC[C@@H]1CN(CCNc2cc(Cl)nc(N)n2)C[C@@H](C)O1
InChIInChI=1S/C12H20ClN5O/c1-8-6-18(7-9(2)19-8)4-3-15-11-5-10(13)16-12(14)17-11/h5,8-9H,3-4,6-7H2,1-2H3,(H3,14,15,16,17)/t8-,9-/m1/s1
InChIKeyOULJVNRPMNYROC-RKDXNWHRSA-N
MW285.78 g/mol
LogP1.23
Rot. Bonds4

About 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 51983136) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID51983136
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine
SMILESC[C@@H]1CN(CCNc2cc(Cl)nc(N)n2)C[C@@H](C)O1
InChIInChI=1S/C12H20ClN5O/c1-8-6-18(7-9(2)19-8)4-3-15-11-5-10(13)16-12(14)17-11/h5,8-9H,3-4,6-7H2,1-2H3,(H3,14,15,16,17)/t8-,9-/m1/s1
InChIKeyOULJVNRPMNYROC-RKDXNWHRSA-N
XLogP1.23
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine (CID 51983136) is 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine is C[C@@H]1CN(CCNc2cc(Cl)nc(N)n2)C[C@@H](C)O1.
What is the InChIKey of 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is OULJVNRPMNYROC-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-8-6-18(7-9(2)19-8)4-3-15-11-5-10(13)16-12(14)17-11/h5,8-9H,3-4,6-7H2,1-2H3,(H3,14,15,16,17)/t8-,9-/m1/s1.
What are the key properties of 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 285.78 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 51983136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).