2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C9H14N4S — CID 103065290

IUPAC2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC2CCSC2)n1
InChIInChI=1S/C9H14N4S/c1-6-11-8(10)4-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H3,10,11,12,13)
InChIKeyNNOVMFIHKSYHLL-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 103065290) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID103065290
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC2CCSC2)n1
InChIInChI=1S/C9H14N4S/c1-6-11-8(10)4-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H3,10,11,12,13)
InChIKeyNNOVMFIHKSYHLL-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065324
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
2-methyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80849083
2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064299
2-methyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736361
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
2-N,4-N-bis(thiolan-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75422707
2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 72873766
3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
CID 103065179
2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532811
N-(thiolan-3-yl)pyrimidin-4-amine
CID 103063402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 103065290) is 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NC2CCSC2)n1.
What is the InChIKey of 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is NNOVMFIHKSYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-6-11-8(10)4-9(12-6)13-7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 210.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 103065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).