N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine

C10H16N4S — CID 83839523

IUPACN'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCc1nc(NCCCN)nc2c1CSC2
InChIInChI=1S/C10H16N4S/c1-7-8-5-15-6-9(8)14-10(13-7)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14)
InChIKeyKIEMVGDNYRABMK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.29
Rot. Bonds4

About N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine

N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine (PubChem CID 83839523) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
PubChem CID83839523
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
SMILESCc1nc(NCCCN)nc2c1CSC2
InChIInChI=1S/C10H16N4S/c1-7-8-5-15-6-9(8)14-10(13-7)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14)
InChIKeyKIEMVGDNYRABMK-UHFFFAOYSA-N
XLogP1.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4,6-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83833883
2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83842966
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
CID 83839420
3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105481225
N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
4-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]butanoic acid
CID 83842467
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(7-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83834527
3-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83839024
N'-(4-bromopyrimidin-2-yl)propane-1,3-diamine
CID 117224384

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine (CID 83839523) is N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine is Cc1nc(NCCCN)nc2c1CSC2.
What is the InChIKey of N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is KIEMVGDNYRABMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-8-5-15-6-9(8)14-10(13-7)12-4-2-3-11/h2-6,11H2,1H3,(H,12,13,14).
What are the key properties of N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine?
N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83839523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).