N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

C12H18N4O — CID 83841695

IUPACN-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESc1nc(NCC2CCCN2)nc2c1COCC2
InChIInChI=1S/C12H18N4O/c1-2-10(13-4-1)7-15-12-14-6-9-8-17-5-3-11(9)16-12/h6,10,13H,1-5,7-8H2,(H,14,15,16)
InChIKeyBVONCNXRDWHILU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.71
Rot. Bonds3

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

N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine (PubChem CID 83841695) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
PubChem CID83841695
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESc1nc(NCC2CCCN2)nc2c1COCC2
InChIInChI=1S/C12H18N4O/c1-2-10(13-4-1)7-15-12-14-6-9-8-17-5-3-11(9)16-12/h6,10,13H,1-5,7-8H2,(H,14,15,16)
InChIKeyBVONCNXRDWHILU-UHFFFAOYSA-N
XLogP0.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-2-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493342
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine
CID 83841237
N-(pyrrolidin-2-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83837778
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167
3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83848457
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine (CID 83841695) is N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine is c1nc(NCC2CCCN2)nc2c1COCC2.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is BVONCNXRDWHILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-10(13-4-1)7-15-12-14-6-9-8-17-5-3-11(9)16-12/h6,10,13H,1-5,7-8H2,(H,14,15,16).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 83841695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).