4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H15N3 — CID 102612202

IUPAC4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1nc2c(c(CC3CC3)n1)CNCC2
InChIInChI=1S/C11H15N3/c1-2-8(1)5-11-9-6-12-4-3-10(9)13-7-14-11/h7-8,12H,1-6H2
InChIKeyOEZUXJAVIBMKCT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.07
Rot. Bonds2

About 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 102612202) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID102612202
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1nc2c(c(CC3CC3)n1)CNCC2
InChIInChI=1S/C11H15N3/c1-2-8(1)5-11-9-6-12-4-3-10(9)13-7-14-11/h7-8,12H,1-6H2
InChIKeyOEZUXJAVIBMKCT-UHFFFAOYSA-N
XLogP1.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106780480
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106781117
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106778698
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate
CID 56777005
N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144863
4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106779446
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106780015
4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 83848148
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
CID 91926995
4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 102612202) is 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1nc2c(c(CC3CC3)n1)CNCC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is OEZUXJAVIBMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8(1)5-11-9-6-12-4-3-10(9)13-7-14-11/h7-8,12H,1-6H2.
What are the key properties of 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 102612202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).