6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide

C26H35N5O2 — CID 59447021

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C26H35N5O2/c32-26(29-22-10-8-20(9-11-22)17-30-12-14-33-15-13-30)24-16-25(28-19-27-24)31(18-21-6-7-21)23-4-2-1-3-5-23/h8-11,16,19,21,23H,1-7,12-15,17-18H2,(H,29,32)
InChIKeyIVSLRFRFOSKHHQ-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.11
Rot. Bonds8

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59447021) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59447021
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C26H35N5O2/c32-26(29-22-10-8-20(9-11-22)17-30-12-14-33-15-13-30)24-16-25(28-19-27-24)31(18-21-6-7-21)23-4-2-1-3-5-23/h8-11,16,19,21,23H,1-7,12-15,17-18H2,(H,29,32)
InChIKeyIVSLRFRFOSKHHQ-UHFFFAOYSA-N
XLogP4.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide (CID 59447021) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is IVSLRFRFOSKHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c32-26(29-22-10-8-20(9-11-22)17-30-12-14-33-15-13-30)24-16-25(28-19-27-24)31(18-21-6-7-21)23-4-2-1-3-5-23/h8-11,16,19,21,23H,1-7,12-15,17-18H2,(H,29,32).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59447021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).