4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine

C13H21N3OS — CID 112638269

IUPAC4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2CCCCS2)n1
InChIInChI=1S/C13H21N3OS/c1-2-8-17-12-6-7-14-13(16-12)15-10-11-5-3-4-9-18-11/h6-7,11H,2-5,8-10H2,1H3,(H,14,15,16)
InChIKeyYZNOKDIZUPDKSL-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.96
Rot. Bonds6

About 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine

4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112638269) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
PubChem CID112638269
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2CCCCS2)n1
InChIInChI=1S/C13H21N3OS/c1-2-8-17-12-6-7-14-13(16-12)15-10-11-5-3-4-9-18-11/h6-7,11H,2-5,8-10H2,1H3,(H,14,15,16)
InChIKeyYZNOKDIZUPDKSL-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-propoxypyrimidin-2-amine
CID 115974477
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80612818
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine (CID 112638269) is 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine is CCCOc1ccnc(NCC2CCCCS2)n1.
What is the InChIKey of 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is YZNOKDIZUPDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-8-17-12-6-7-14-13(16-12)15-10-11-5-3-4-9-18-11/h6-7,11H,2-5,8-10H2,1H3,(H,14,15,16).
What are the key properties of 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine?
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).