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

C23H31N5O2 — CID 153321099

IUPACN-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O2/c1-2-27(11-10-18-6-4-3-5-7-18)23-25-20(22(29)24-17-19-8-9-19)16-21(26-23)28-12-14-30-15-13-28/h3-7,16,19H,2,8-15,17H2,1H3,(H,24,29)
InChIKeyUFFKHUQAQNKXNG-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.52
Rot. Bonds9

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

N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321099) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321099
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O2/c1-2-27(11-10-18-6-4-3-5-7-18)23-25-20(22(29)24-17-19-8-9-19)16-21(26-23)28-12-14-30-15-13-28/h3-7,16,19H,2,8-15,17H2,1H3,(H,24,29)
InChIKeyUFFKHUQAQNKXNG-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321099) is N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is UFFKHUQAQNKXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-2-27(11-10-18-6-4-3-5-7-18)23-25-20(22(29)24-17-19-8-9-19)16-21(26-23)28-12-14-30-15-13-28/h3-7,16,19H,2,8-15,17H2,1H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[ethyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).