N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine

C10H15N3OS2 — CID 115689528

IUPACN-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CSCCS2)n1
InChIInChI=1S/C10H15N3OS2/c1-14-9-2-3-11-10(13-9)12-6-8-7-15-4-5-16-8/h2-3,8H,4-7H2,1H3,(H,11,12,13)
InChIKeyPSZUZTHGCSBTIJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.75
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine

N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine (PubChem CID 115689528) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
PubChem CID115689528
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CSCCS2)n1
InChIInChI=1S/C10H15N3OS2/c1-14-9-2-3-11-10(13-9)12-6-8-7-15-4-5-16-8/h2-3,8H,4-7H2,1H3,(H,11,12,13)
InChIKeyPSZUZTHGCSBTIJ-UHFFFAOYSA-N
XLogP1.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 104772335
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine (CID 115689528) is N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2CSCCS2)n1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is PSZUZTHGCSBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-14-9-2-3-11-10(13-9)12-6-8-7-15-4-5-16-8/h2-3,8H,4-7H2,1H3,(H,11,12,13).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine?
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 115689528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).