4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C12H17N3O — CID 83849391

IUPAC4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESc1nc2c(c(CC3CCNC3)n1)COCC2
InChIInChI=1S/C12H17N3O/c1-3-13-6-9(1)5-12-10-7-16-4-2-11(10)14-8-15-12/h8-9,13H,1-7H2
InChIKeyDXOWZXWXMYQGRM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.70
Rot. Bonds2

About 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 83849391) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID83849391
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESc1nc2c(c(CC3CCNC3)n1)COCC2
InChIInChI=1S/C12H17N3O/c1-3-13-6-9(1)5-12-10-7-16-4-2-11(10)14-8-15-12/h8-9,13H,1-7H2
InChIKeyDXOWZXWXMYQGRM-UHFFFAOYSA-N
XLogP0.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102612202
2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
CID 105494773
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
CID 82401884
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512
4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
CID 83859055
N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493340
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106780480
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 83849391) is 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is c1nc2c(c(CC3CCNC3)n1)COCC2.
What is the InChIKey of 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is DXOWZXWXMYQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-13-6-9(1)5-12-10-7-16-4-2-11(10)14-8-15-12/h8-9,13H,1-7H2.
What are the key properties of 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 83849391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).