4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide

C24H34N8O3 — CID 126683669

IUPAC4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1COc1nc(C(=O)N[C@H](C)C2CC2)nc(N2CCC(COc3cncnc3N)CC2)n1
InChIInChI=1S/C24H34N8O3/c1-14-9-18(14)12-35-24-30-21(22(33)28-15(2)17-3-4-17)29-23(31-24)32-7-5-16(6-8-32)11-34-19-10-26-13-27-20(19)25/h10,13-18H,3-9,11-12H2,1-2H3,(H,28,33)(H2,25,26,27)/t14-,15-,18-/m1/s1
InChIKeyBMRNHCPAYNAEEL-IIDMSEBBSA-N
MW482.59 g/mol
LogP2.10
Rot. Bonds10

About 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide

4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 126683669) has the molecular formula C24H34N8O3 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide
PubChem CID126683669
Molecular FormulaC24H34N8O3
Molecular Weight482.59 g/mol
Exact Mass482.28
IUPAC Name4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1COc1nc(C(=O)N[C@H](C)C2CC2)nc(N2CCC(COc3cncnc3N)CC2)n1
InChIInChI=1S/C24H34N8O3/c1-14-9-18(14)12-35-24-30-21(22(33)28-15(2)17-3-4-17)29-23(31-24)32-7-5-16(6-8-32)11-34-19-10-26-13-27-20(19)25/h10,13-18H,3-9,11-12H2,1-2H3,(H,28,33)(H2,25,26,27)/t14-,15-,18-/m1/s1
InChIKeyBMRNHCPAYNAEEL-IIDMSEBBSA-N
XLogP2.10
TPSA141.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide (CID 126683669) is 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide is C[C@@H]1C[C@@H]1COc1nc(C(=O)N[C@H](C)C2CC2)nc(N2CCC(COc3cncnc3N)CC2)n1.
What is the InChIKey of 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide?
The InChIKey is BMRNHCPAYNAEEL-IIDMSEBBSA-N. The full InChI is InChI=1S/C24H34N8O3/c1-14-9-18(14)12-35-24-30-21(22(33)28-15(2)17-3-4-17)29-23(31-24)32-7-5-16(6-8-32)11-34-19-10-26-13-27-20(19)25/h10,13-18H,3-9,11-12H2,1-2H3,(H,28,33)(H2,25,26,27)/t14-,15-,18-/m1/s1.
What are the key properties of 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide?
4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126683669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).