6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide

C23H30N8O3 — CID 121408980

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OCC2(C#N)CC2)n1
InChIInChI=1S/C23H30N8O3/c1-2-7-27-21(32)17-10-19(30-22(29-17)34-14-23(13-24)5-6-23)31-8-3-16(4-9-31)12-33-18-11-26-15-28-20(18)25/h10-11,15-16H,2-9,12,14H2,1H3,(H,27,32)(H2,25,26,28)
InChIKeyAZVITPMEHCDSHU-UHFFFAOYSA-N
MW466.55 g/mol
LogP1.97
Rot. Bonds10

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide (PubChem CID 121408980) has the molecular formula C23H30N8O3 and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide
PubChem CID121408980
Molecular FormulaC23H30N8O3
Molecular Weight466.55 g/mol
Exact Mass466.24
IUPAC Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OCC2(C#N)CC2)n1
InChIInChI=1S/C23H30N8O3/c1-2-7-27-21(32)17-10-19(30-22(29-17)34-14-23(13-24)5-6-23)31-8-3-16(4-9-31)12-33-18-11-26-15-28-20(18)25/h10-11,15-16H,2-9,12,14H2,1H3,(H,27,32)(H2,25,26,28)
InChIKeyAZVITPMEHCDSHU-UHFFFAOYSA-N
XLogP1.97
TPSA152.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide (CID 121408980) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OCC2(C#N)CC2)n1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide?
The InChIKey is AZVITPMEHCDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3/c1-2-7-27-21(32)17-10-19(30-22(29-17)34-14-23(13-24)5-6-23)31-8-3-16(4-9-31)12-33-18-11-26-15-28-20(18)25/h10-11,15-16H,2-9,12,14H2,1H3,(H,27,32)(H2,25,26,28).
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 121408980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).