2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine

C12H18N4O — CID 105494773

IUPAC2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CC2CCNC2)nc2c1CCOC2
InChIInChI=1S/C12H18N4O/c13-12-9-2-4-17-7-10(9)15-11(16-12)5-8-1-3-14-6-8/h8,14H,1-7H2,(H2,13,15,16)
InChIKeyNXSAFMZCZRPXFV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.28
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine

2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine (PubChem CID 105494773) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
PubChem CID105494773
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
SMILESNc1nc(CC2CCNC2)nc2c1CCOC2
InChIInChI=1S/C12H18N4O/c13-12-9-2-4-17-7-10(9)15-11(16-12)5-8-1-3-14-6-8/h8,14H,1-7H2,(H2,13,15,16)
InChIKeyNXSAFMZCZRPXFV-UHFFFAOYSA-N
XLogP0.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-3-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105494778
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493340
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-piperidin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105475953
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine (CID 105494773) is 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine is Nc1nc(CC2CCNC2)nc2c1CCOC2.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?
The InChIKey is NXSAFMZCZRPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12-9-2-4-17-7-10(9)15-11(16-12)5-8-1-3-14-6-8/h8,14H,1-7H2,(H2,13,15,16).
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?
2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105494773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).