(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine

C11H17N3O — CID 83859046

IUPAC(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1ncnc2c1COCC2
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11-8-5-15-4-3-9(8)13-6-14-11/h6-7,10H,3-5,12H2,1-2H3/t10-/m0/s1
InChIKeySKESKCHGSKDFAE-JTQLQIEISA-N
MW207.28 g/mol
LogP1.21
Rot. Bonds2

About (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine

(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine (PubChem CID 83859046) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
PubChem CID83859046
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1ncnc2c1COCC2
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11-8-5-15-4-3-9(8)13-6-14-11/h6-7,10H,3-5,12H2,1-2H3/t10-/m0/s1
InChIKeySKESKCHGSKDFAE-JTQLQIEISA-N
XLogP1.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
CID 82401884
4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
CID 83859055
1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-3-(4-propan-2-ylphenyl)azetidin-3-ol
CID 166365672
4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 118338079
4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 59634433
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
CID 82413745
N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 166365675
N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103768418
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126931871

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine (CID 83859046) is (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine is CC(C)[C@H](N)c1ncnc2c1COCC2.
What is the InChIKey of (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine?
The InChIKey is SKESKCHGSKDFAE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10(12)11-8-5-15-4-3-9(8)13-6-14-11/h6-7,10H,3-5,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine?
(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83859046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).