N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C19H32N6O3S — CID 70883069

IUPACN-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1nc(N)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H32N6O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3,(H2,20,21,22)
InChIKeyFMYMMKGQHJMZGH-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.64
Rot. Bonds4

About N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 70883069) has the molecular formula C19H32N6O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID70883069
Molecular FormulaC19H32N6O3S
Molecular Weight424.57 g/mol
Exact Mass424.23
IUPAC NameN-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1nc(N)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C19H32N6O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3,(H2,20,21,22)
InChIKeyFMYMMKGQHJMZGH-UHFFFAOYSA-N
XLogP0.64
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.64
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-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 70883069) is N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1nc(N)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is FMYMMKGQHJMZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3S/c1-13-17(21-14(2)22-18(13)20)19(26)25-11-7-16(8-12-25)24-9-5-15(6-10-24)23(3)29(4,27)28/h15-16H,5-12H2,1-4H3,(H2,20,21,22).
What are the key properties of N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(6-amino-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 0.64, 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-2,5-dimethylpyrimidine-4-carbonyl)piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70883069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).