6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine

C14H22Cl2N4O — CID 170724571

IUPAC6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(C)CNc1nc(N2CCOCC2)nc(Cl)c1CCCl
InChIInChI=1S/C14H22Cl2N4O/c1-10(2)9-17-13-11(3-4-15)12(16)18-14(19-13)20-5-7-21-8-6-20/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyPCQWEZZSUFKZCH-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.82
Rot. Bonds6

About 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine

6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 170724571) has the molecular formula C14H22Cl2N4O and a molecular weight of 333.26 g/mol. Its IUPAC name is 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID170724571
Molecular FormulaC14H22Cl2N4O
Molecular Weight333.26 g/mol
Exact Mass332.12
IUPAC Name6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(C)CNc1nc(N2CCOCC2)nc(Cl)c1CCCl
InChIInChI=1S/C14H22Cl2N4O/c1-10(2)9-17-13-11(3-4-15)12(16)18-14(19-13)20-5-7-21-8-6-20/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyPCQWEZZSUFKZCH-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567738
6-chloro-5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833544
6-chloro-5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63834432
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-ethylpyrimidin-4-amine
CID 105920204
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 105920217
4-Chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 20153501
4-(4,6-Dichloro-5-ethylpyrimidin-2-yl)morpholine
CID 21507542
4-(4,6-Dichloro-5-(2-chloroethyl)pyrimidin-2-yl)morpholine
CID 56973360
4-Chloro-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 59244529
2-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82460595
4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 82460999
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 88906606

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 170724571) is 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine is CC(C)CNc1nc(N2CCOCC2)nc(Cl)c1CCCl.
What is the InChIKey of 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is PCQWEZZSUFKZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N4O/c1-10(2)9-17-13-11(3-4-15)12(16)18-14(19-13)20-5-7-21-8-6-20/h10H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 333.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloroethyl)-N-(2-methylpropyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 170724571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).