2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine

C12H20N4S — CID 80950697

IUPAC2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC2CCCS2)n1
InChIInChI=1S/C12H20N4S/c1-2-4-11-15-10(13)7-12(16-11)14-8-9-5-3-6-17-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16)
InChIKeyZGWURFABOSGDFE-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.32
Rot. Bonds5

About 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine

2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80950697) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80950697
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCC2CCCS2)n1
InChIInChI=1S/C12H20N4S/c1-2-4-11-15-10(13)7-12(16-11)14-8-9-5-3-6-17-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16)
InChIKeyZGWURFABOSGDFE-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
4-N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772556
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 81007299
6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
CID 80852493
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80950697) is 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine is CCCc1nc(N)cc(NCC2CCCS2)n1.
What is the InChIKey of 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ZGWURFABOSGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-4-11-15-10(13)7-12(16-11)14-8-9-5-3-6-17-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine?
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80950697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).