N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C10H19N5O4S — CID 63860593

IUPACN-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCn1c(N)c(NCC(C)(C)NS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O4S/c1-10(2,14-20(4,18)19)5-12-6-7(11)15(3)9(17)13-8(6)16/h12,14H,5,11H2,1-4H3,(H,13,16,17)
InChIKeyUCYUJMABVYQNTL-UHFFFAOYSA-N
MW305.36 g/mol
LogP-1.60
Rot. Bonds5

About N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860593) has the molecular formula C10H19N5O4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860593
Molecular FormulaC10H19N5O4S
Molecular Weight305.36 g/mol
Exact Mass305.12
IUPAC NameN-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCn1c(N)c(NCC(C)(C)NS(C)(=O)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O4S/c1-10(2,14-20(4,18)19)5-12-6-7(11)15(3)9(17)13-8(6)16/h12,14H,5,11H2,1-4H3,(H,13,16,17)
InChIKeyUCYUJMABVYQNTL-UHFFFAOYSA-N
XLogP-1.60
TPSA139.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63860593) is N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is Cn1c(N)c(NCC(C)(C)NS(C)(=O)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is UCYUJMABVYQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O4S/c1-10(2,14-20(4,18)19)5-12-6-7(11)15(3)9(17)13-8(6)16/h12,14H,5,11H2,1-4H3,(H,13,16,17).
What are the key properties of N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of -1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).