N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine

C10H15N3O2S — CID 164642526

IUPACN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC[C@H]2CCCS2(=O)=O)nc1
InChIInChI=1S/C10H15N3O2S/c1-8-5-11-10(12-6-8)13-7-9-3-2-4-16(9,14)15/h5-6,9H,2-4,7H2,1H3,(H,11,12,13)/t9-/m1/s1
InChIKeyZXLVDQIKSIICTR-SECBINFHSA-N
MW241.32 g/mol
LogP0.77
Rot. Bonds3

About N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine

N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine (PubChem CID 164642526) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine
PubChem CID164642526
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC[C@H]2CCCS2(=O)=O)nc1
InChIInChI=1S/C10H15N3O2S/c1-8-5-11-10(12-6-8)13-7-9-3-2-4-16(9,14)15/h5-6,9H,2-4,7H2,1H3,(H,11,12,13)/t9-/m1/s1
InChIKeyZXLVDQIKSIICTR-SECBINFHSA-N
XLogP0.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72854326
N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2-[(5-Ethylpyrimidin-2-YL)amino]-N,N-dimethylethanesulfonamide
CID 72927155
N~2~-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50955867
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
5-{[(4aS*,7aR*)-6,6-dioxido-4-pentylhexahydrothieno[3,4-b]pyrazin-1(2H)-yl]methyl}-N-ethyl-2-pyrimidinamine
CID 70779256
5-bromo-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 71980260
5-bromo-N-[(1,1-dioxothian-4-yl)methyl]pyrimidin-2-amine
CID 75432973
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
CID 97210741
5-bromo-2-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 99634454

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine (CID 164642526) is N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC[C@H]2CCCS2(=O)=O)nc1.
What is the InChIKey of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine?
The InChIKey is ZXLVDQIKSIICTR-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-5-11-10(12-6-8)13-7-9-3-2-4-16(9,14)15/h5-6,9H,2-4,7H2,1H3,(H,11,12,13)/t9-/m1/s1.
What are the key properties of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine?
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 164642526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).