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2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C29H35N5O2 — CID 153321102

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)CCc2ccccc2)n1
InChIInChI=1S/C29H35N5O2/c35-28(30-22-25-11-12-25)26-21-27(33-17-19-36-20-18-33)32-29(31-26)34(15-13-23-7-3-1-4-8-23)16-14-24-9-5-2-6-10-24/h1-10,21,25H,11-20,22H2,(H,30,35)
InChIKeyNPLITYRILSKRQU-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.74
Rot. Bonds11

About 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321102) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321102
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)CCc2ccccc2)n1
InChIInChI=1S/C29H35N5O2/c35-28(30-22-25-11-12-25)26-21-27(33-17-19-36-20-18-33)32-29(31-26)34(15-13-23-7-3-1-4-8-23)16-14-24-9-5-2-6-10-24/h1-10,21,25H,11-20,22H2,(H,30,35)
InChIKeyNPLITYRILSKRQU-UHFFFAOYSA-N
XLogP3.74
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321102) is 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N(CCc2ccccc2)CCc2ccccc2)n1.
What is the InChIKey of 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is NPLITYRILSKRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c35-28(30-22-25-11-12-25)26-21-27(33-17-19-36-20-18-33)32-29(31-26)34(15-13-23-7-3-1-4-8-23)16-14-24-9-5-2-6-10-24/h1-10,21,25H,11-20,22H2,(H,30,35).
What are the key properties of 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-phenylethyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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