N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C18H30N6O3S — CID 70883156

IUPACN-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(N)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C18H30N6O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyDANPWQOYSBPMPX-UHFFFAOYSA-N
MW410.54 g/mol
LogP0.33
Rot. Bonds4

About N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 70883156) has the molecular formula C18H30N6O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID70883156
Molecular FormulaC18H30N6O3S
Molecular Weight410.54 g/mol
Exact Mass410.21
IUPAC NameN-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1c(N)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C18H30N6O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyDANPWQOYSBPMPX-UHFFFAOYSA-N
XLogP0.33
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 70883156) is N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1c(N)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is DANPWQOYSBPMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3S/c1-13-16(20-12-21-17(13)19)18(25)24-10-6-15(7-11-24)23-8-4-14(5-9-23)22(2)28(3,26)27/h12,14-15H,4-11H2,1-3H3,(H2,19,20,21).
What are the key properties of N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-amino-5-methylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70883156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).