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

C24H30N8O3 — CID 121409491

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide
SMILESN#CC1(COc2nc(C(=O)NCC3CC3)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1
InChIInChI=1S/C24H30N8O3/c25-13-24(5-6-24)14-35-23-30-18(22(33)28-10-16-1-2-16)9-20(31-23)32-7-3-17(4-8-32)12-34-19-11-27-15-29-21(19)26/h9,11,15-17H,1-8,10,12,14H2,(H,28,33)(H2,26,27,29)
InChIKeyFHYUJTRFGGLZND-UHFFFAOYSA-N
MW478.56 g/mol
LogP1.97
Rot. Bonds10

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

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide (PubChem CID 121409491) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide
PubChem CID121409491
Molecular FormulaC24H30N8O3
Molecular Weight478.56 g/mol
Exact Mass478.24
IUPAC Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide
SMILESN#CC1(COc2nc(C(=O)NCC3CC3)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1
InChIInChI=1S/C24H30N8O3/c25-13-24(5-6-24)14-35-23-30-18(22(33)28-10-16-1-2-16)9-20(31-23)32-7-3-17(4-8-32)12-34-19-11-27-15-29-21(19)26/h9,11,15-17H,1-8,10,12,14H2,(H,28,33)(H2,26,27,29)
InChIKeyFHYUJTRFGGLZND-UHFFFAOYSA-N
XLogP1.97
TPSA152.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
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-(cyclopropylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide (CID 121409491) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide is N#CC1(COc2nc(C(=O)NCC3CC3)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FHYUJTRFGGLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3/c25-13-24(5-6-24)14-35-23-30-18(22(33)28-10-16-1-2-16)9-20(31-23)32-7-3-17(4-8-32)12-34-19-11-27-15-29-21(19)26/h9,11,15-17H,1-8,10,12,14H2,(H,28,33)(H2,26,27,29).
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(cyclopropylmethyl)pyrimidine-4-carboxamide has a molecular weight of 478.56 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-(cyclopropylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121409491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).