N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C12H14N4O — CID 121208882

IUPACN-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESc1coc(CNc2ncc3c(n2)CCNC3)c1
InChIInChI=1S/C12H14N4O/c1-2-10(17-5-1)8-15-12-14-7-9-6-13-4-3-11(9)16-12/h1-2,5,7,13H,3-4,6,8H2,(H,14,15,16)
InChIKeyBJPNOXVWQVRJJR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.33
Rot. Bonds3

About N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 121208882) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID121208882
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESc1coc(CNc2ncc3c(n2)CCNC3)c1
InChIInChI=1S/C12H14N4O/c1-2-10(17-5-1)8-15-12-14-7-9-6-13-4-3-11(9)16-12/h1-2,5,7,13H,3-4,6,8H2,(H,14,15,16)
InChIKeyBJPNOXVWQVRJJR-UHFFFAOYSA-N
XLogP1.33
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 121208882) is N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is c1coc(CNc2ncc3c(n2)CCNC3)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is BJPNOXVWQVRJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10(17-5-1)8-15-12-14-7-9-6-13-4-3-11(9)16-12/h1-2,5,7,13H,3-4,6,8H2,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 121208882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).