5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine

C16H21N5O — CID 167763970

IUPAC5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1C1CN(Cc2cnc(N)nc2N)CCO1
InChIInChI=1S/C16H21N5O/c1-11-4-2-3-5-13(11)14-10-21(6-7-22-14)9-12-8-19-16(18)20-15(12)17/h2-5,8,14H,6-7,9-10H2,1H3,(H4,17,18,19,20)
InChIKeyWZCXRFLOAFMFTF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.52
Rot. Bonds3

About 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine

5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 167763970) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine
PubChem CID167763970
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1C1CN(Cc2cnc(N)nc2N)CCO1
InChIInChI=1S/C16H21N5O/c1-11-4-2-3-5-13(11)14-10-21(6-7-22-14)9-12-8-19-16(18)20-15(12)17/h2-5,8,14H,6-7,9-10H2,1H3,(H4,17,18,19,20)
InChIKeyWZCXRFLOAFMFTF-UHFFFAOYSA-N
XLogP1.52
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
2-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-[(2-methylphenyl)methyl]morpholine
CID 136557347
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910
4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959756
3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
CID 138003930

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine (CID 167763970) is 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine is Cc1ccccc1C1CN(Cc2cnc(N)nc2N)CCO1.
What is the InChIKey of 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is WZCXRFLOAFMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-4-2-3-5-13(11)14-10-21(6-7-22-14)9-12-8-19-16(18)20-15(12)17/h2-5,8,14H,6-7,9-10H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine?
5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylphenyl)morpholin-4-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167763970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).