4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine

C10H15N3OS — CID 112698618

IUPAC4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCCS2)n1
InChIInChI=1S/C10H15N3OS/c1-14-9-4-5-11-10(13-9)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12,13)
InChIKeyYQOMTNKFHMMMMU-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.79
Rot. Bonds4

About 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine

4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112698618) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID112698618
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCCS2)n1
InChIInChI=1S/C10H15N3OS/c1-14-9-4-5-11-10(13-9)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12,13)
InChIKeyYQOMTNKFHMMMMU-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852421
N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
CID 75358087
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 104772335
4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 133293203

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine (CID 112698618) is 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine is COc1ccnc(NCC2CCCS2)n1.
What is the InChIKey of 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is YQOMTNKFHMMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-9-4-5-11-10(13-9)12-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12,13).
What are the key properties of 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine?
4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 225.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112698618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).