2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine

C19H20N4OS — CID 162665694

IUPAC2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESc1ccc(-c2ccc(CNc3ccnc(N4CCOCC4)n3)s2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-4-15(5-3-1)17-7-6-16(25-17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)
InChIKeyMRYLBUAPBRKTPN-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.65
Rot. Bonds5

About 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine

2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 162665694) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID162665694
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESc1ccc(-c2ccc(CNc3ccnc(N4CCOCC4)n3)s2)cc1
InChIInChI=1S/C19H20N4OS/c1-2-4-15(5-3-1)17-7-6-16(25-17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)
InChIKeyMRYLBUAPBRKTPN-UHFFFAOYSA-N
XLogP3.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 162665694) is 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine is c1ccc(-c2ccc(CNc3ccnc(N4CCOCC4)n3)s2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is MRYLBUAPBRKTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-4-15(5-3-1)17-7-6-16(25-17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22).
What are the key properties of 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 352.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 162665694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).