1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine

C11H18N4O — CID 83838851

IUPAC1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nc2c(c(NCC(C)N)n1)COCC2
InChIInChI=1S/C11H18N4O/c1-7(12)5-13-11-9-6-16-4-3-10(9)14-8(2)15-11/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyUTOMPRNHOBEVPY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds3

About 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine

1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 83838851) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID83838851
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nc2c(c(NCC(C)N)n1)COCC2
InChIInChI=1S/C11H18N4O/c1-7(12)5-13-11-9-6-16-4-3-10(9)14-8(2)15-11/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyUTOMPRNHOBEVPY-UHFFFAOYSA-N
XLogP0.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine with MolForge

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Related Compounds

2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 172576454
N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
CID 83847331
4-[[(2S)-2-aminopropyl]amino]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387795
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447
1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83833742
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
(2R)-N-ethyl-N,2-dimethyl-N'-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)propane-1,3-diamine
CID 95868473
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 83839015
2-(butan-2-ylsulfanylmethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472593

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine (CID 83838851) is 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine is Cc1nc2c(c(NCC(C)N)n1)COCC2.
What is the InChIKey of 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is UTOMPRNHOBEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(12)5-13-11-9-6-16-4-3-10(9)14-8(2)15-11/h7H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine?
1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83838851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).