6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C14H16ClN5O — CID 121468961

IUPAC6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16ClN5O/c15-12-9-13(16)19-14(18-12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19)
InChIKeyCTLLDZGJHFMQHD-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.29
Rot. Bonds3

About 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 121468961) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID121468961
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Cl)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16ClN5O/c15-12-9-13(16)19-14(18-12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19)
InChIKeyCTLLDZGJHFMQHD-UHFFFAOYSA-N
XLogP2.29
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
4-morpholin-4-yl-N-phenylaniline
CID 159018746
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
CID 167225907
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 121468961) is 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Nc1cc(Cl)nc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is CTLLDZGJHFMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-12-9-13(16)19-14(18-12)17-10-1-3-11(4-2-10)20-5-7-21-8-6-20/h1-4,9H,5-8H2,(H3,16,17,18,19).
What are the key properties of 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 305.77 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 121468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).