5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine

C16H20ClN5O — CID 122148704

IUPAC5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1N1CCOCC1)c1ncnc(N)c1Cl
InChIInChI=1S/C16H20ClN5O/c1-21(16-14(17)15(18)19-11-20-16)10-12-4-2-3-5-13(12)22-6-8-23-9-7-22/h2-5,11H,6-10H2,1H3,(H2,18,19,20)
InChIKeyQJVCYECBVCFYGN-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.19
Rot. Bonds4

About 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine

5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 122148704) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID122148704
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1N1CCOCC1)c1ncnc(N)c1Cl
InChIInChI=1S/C16H20ClN5O/c1-21(16-14(17)15(18)19-11-20-16)10-12-4-2-3-5-13(12)22-6-8-23-9-7-22/h2-5,11H,6-10H2,1H3,(H2,18,19,20)
InChIKeyQJVCYECBVCFYGN-UHFFFAOYSA-N
XLogP2.19
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine (CID 122148704) is 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine is CN(Cc1ccccc1N1CCOCC1)c1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is QJVCYECBVCFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21(16-14(17)15(18)19-11-20-16)10-12-4-2-3-5-13(12)22-6-8-23-9-7-22/h2-5,11H,6-10H2,1H3,(H2,18,19,20).
What are the key properties of 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 333.82 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 122148704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).