6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine

C16H20ClN5O — CID 89282935

IUPAC6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(-c2ccccc2)nc1NCCN1CCOCC1
InChIInChI=1S/C16H20ClN5O/c17-14-13(18)16(19-6-7-22-8-10-23-11-9-22)21-15(20-14)12-4-2-1-3-5-12/h1-5H,6-11,18H2,(H,19,20,21)
InChIKeyIBTBILDBESATLH-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.12
Rot. Bonds5

About 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine

6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine (PubChem CID 89282935) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
PubChem CID89282935
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(-c2ccccc2)nc1NCCN1CCOCC1
InChIInChI=1S/C16H20ClN5O/c17-14-13(18)16(19-6-7-22-8-10-23-11-9-22)21-15(20-14)12-4-2-1-3-5-12/h1-5H,6-11,18H2,(H,19,20,21)
InChIKeyIBTBILDBESATLH-UHFFFAOYSA-N
XLogP2.12
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpyrimidine-4,5-diamine
CID 89282848
4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5,6-triamine;deuterio(iodo)methane;9-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)-2-phenyl-7H-purin-8-one
CID 157168579
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
CID 45262908
7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
7-(1-methylpiperidin-4-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine
CID 25204115
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
1-[(5-amino-6-chloro-2-phenylpyrimidin-4-yl)amino]propan-2-ol
CID 11185047

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine (CID 89282935) is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine is Nc1c(Cl)nc(-c2ccccc2)nc1NCCN1CCOCC1.
What is the InChIKey of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine?
The InChIKey is IBTBILDBESATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-14-13(18)16(19-6-7-22-8-10-23-11-9-22)21-15(20-14)12-4-2-1-3-5-12/h1-5H,6-11,18H2,(H,19,20,21).
What are the key properties of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine?
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine has a molecular weight of 333.82 g/mol, XLogP of 2.12, 5 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-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 89282935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).