5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine

C14H23ClN4O — CID 97093099

IUPAC5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
SMILESC[C@@H]1CN(CCCCNc2ncc(Cl)cn2)C[C@@H](C)O1
InChIInChI=1S/C14H23ClN4O/c1-11-9-19(10-12(2)20-11)6-4-3-5-16-14-17-7-13(15)8-18-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyUGTMZEZIWGODSA-VXGBXAGGSA-N
MW298.82 g/mol
LogP2.43
Rot. Bonds6

About 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine

5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine (PubChem CID 97093099) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
PubChem CID97093099
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
SMILESC[C@@H]1CN(CCCCNc2ncc(Cl)cn2)C[C@@H](C)O1
InChIInChI=1S/C14H23ClN4O/c1-11-9-19(10-12(2)20-11)6-4-3-5-16-14-17-7-13(15)8-18-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyUGTMZEZIWGODSA-VXGBXAGGSA-N
XLogP2.43
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine
CID 97324812
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 154774201
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
N-[2-(azepan-1-yl)ethyl]-5-chloropyrimidin-2-amine
CID 79557528
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-4-(trifluoromethylsulfonyl)aniline
CID 96536322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine (CID 97093099) is 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine is C[C@@H]1CN(CCCCNc2ncc(Cl)cn2)C[C@@H](C)O1.
What is the InChIKey of 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine?
The InChIKey is UGTMZEZIWGODSA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-11-9-19(10-12(2)20-11)6-4-3-5-16-14-17-7-13(15)8-18-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine?
5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine is sourced from PubChem (CID 97093099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).