2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C24H39N7O3 — CID 143632994

IUPAC2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(N2CCOCC2)nc(C2CCC(NC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C24H39N7O3/c1-29(2)10-11-30(3)23(32)20-16-21(31-12-14-34-15-13-31)28-22(27-20)17-4-6-18(7-5-17)25-24(33)26-19-8-9-19/h16-19H,4-15H2,1-3H3,(H2,25,26,33)
InChIKeyRVRROSXUNAJYER-UHFFFAOYSA-N
MW473.62 g/mol
LogP1.43
Rot. Bonds8

About 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 143632994) has the molecular formula C24H39N7O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID143632994
Molecular FormulaC24H39N7O3
Molecular Weight473.62 g/mol
Exact Mass473.31
IUPAC Name2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(N2CCOCC2)nc(C2CCC(NC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C24H39N7O3/c1-29(2)10-11-30(3)23(32)20-16-21(31-12-14-34-15-13-31)28-22(27-20)17-4-6-18(7-5-17)25-24(33)26-19-8-9-19/h16-19H,4-15H2,1-3H3,(H2,25,26,33)
InChIKeyRVRROSXUNAJYER-UHFFFAOYSA-N
XLogP1.43
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 143632994) is 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(C)CCN(C)C(=O)c1cc(N2CCOCC2)nc(C2CCC(NC(=O)NC3CC3)CC2)n1.
What is the InChIKey of 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is RVRROSXUNAJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7O3/c1-29(2)10-11-30(3)23(32)20-16-21(31-12-14-34-15-13-31)28-22(27-20)17-4-6-18(7-5-17)25-24(33)26-19-8-9-19/h16-19H,4-15H2,1-3H3,(H2,25,26,33).
What are the key properties of 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 143632994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).