2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

C17H23N5O — CID 123957603

IUPAC2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1nc(N2CCOCC2C)ncc1N)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-12-11-23-9-8-22(12)17-19-10-15(18)16(21-17)20-13(2)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,18H2,1-2H3,(H,19,20,21)
InChIKeyVVLLTQWCVGEHPY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.46
Rot. Bonds4

About 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine

2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 123957603) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
PubChem CID123957603
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
SMILESCC(Nc1nc(N2CCOCC2C)ncc1N)c1ccccc1
InChIInChI=1S/C17H23N5O/c1-12-11-23-9-8-22(12)17-19-10-15(18)16(21-17)20-13(2)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,18H2,1-2H3,(H,19,20,21)
InChIKeyVVLLTQWCVGEHPY-UHFFFAOYSA-N
XLogP2.46
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4,6-bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
CID 139520998
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334408
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
4-(difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine
CID 118067791
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
6-(3-methylmorpholin-4-yl)-2-(2-methylpropoxy)pyridin-3-amine
CID 43541828
6-methyl-2-morpholin-4-yl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961190
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine (CID 123957603) is 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is CC(Nc1nc(N2CCOCC2C)ncc1N)c1ccccc1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is VVLLTQWCVGEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-11-23-9-8-22(12)17-19-10-15(18)16(21-17)20-13(2)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,18H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine?
2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 123957603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).