2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H25N3OS — CID 106472593

IUPAC2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSC(C)CC)nc2c1COCC2
InChIInChI=1S/C15H25N3OS/c1-4-7-16-15-12-9-19-8-6-13(12)17-14(18-15)10-20-11(3)5-2/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyCYRYIZPEVHNXLQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.40
Rot. Bonds7

About 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472593) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472593
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSC(C)CC)nc2c1COCC2
InChIInChI=1S/C15H25N3OS/c1-4-7-16-15-12-9-19-8-6-13(12)17-14(18-15)10-20-11(3)5-2/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyCYRYIZPEVHNXLQ-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2-(propylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472513
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
2-N,2-N-diethyl-4-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-2,4-diamine
CID 106472565
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(butan-2-ylsulfanylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696363
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472619
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
2-(4-methylpiperazin-1-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472509
2-(1H-imidazol-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472516
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472593) is 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCNc1nc(CSC(C)CC)nc2c1COCC2.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is CYRYIZPEVHNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-7-16-15-12-9-19-8-6-13(12)17-14(18-15)10-20-11(3)5-2/h11H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 295.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).