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

C17H23N5O — CID 112870421

IUPAC2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-14-19-16(18-7-8-22-9-11-23-12-10-22)13-17(20-14)21-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H2,18,19,20,21)
InChIKeyQMWSXLLADXNFBG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.27
Rot. Bonds6

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

2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112870421) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112870421
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN2CCOCC2)cc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-14-19-16(18-7-8-22-9-11-23-12-10-22)13-17(20-14)21-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H2,18,19,20,21)
InChIKeyQMWSXLLADXNFBG-UHFFFAOYSA-N
XLogP2.27
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
CID 142845392
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 59982998
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112870421) is 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine is Cc1nc(NCCN2CCOCC2)cc(Nc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is QMWSXLLADXNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-19-16(18-7-8-22-9-11-23-12-10-22)13-17(20-14)21-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine?
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).