5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine

C14H22N4S — CID 83186208

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCSC2)ncc1CNC1CC1
InChIInChI=1S/C14H22N4S/c1-10-11(7-15-12-3-4-12)8-16-14(17-10)18(2)13-5-6-19-9-13/h8,12-13,15H,3-7,9H2,1-2H3
InChIKeyOOYPZVWCIUEUPV-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.98
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine (PubChem CID 83186208) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
PubChem CID83186208
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCSC2)ncc1CNC1CC1
InChIInChI=1S/C14H22N4S/c1-10-11(7-15-12-3-4-12)8-16-14(17-10)18(2)13-5-6-19-9-13/h8,12-13,15H,3-7,9H2,1-2H3
InChIKeyOOYPZVWCIUEUPV-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622
5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
CID 61145624
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 83179651
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylthiolan-3-amine
CID 62119974
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206498

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine (CID 83186208) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine is Cc1nc(N(C)C2CCSC2)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine?
The InChIKey is OOYPZVWCIUEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-11(7-15-12-3-4-12)8-16-14(17-10)18(2)13-5-6-19-9-13/h8,12-13,15H,3-7,9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine has a molecular weight of 278.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 83186208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).