2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine

C12H18N4 — CID 83917427

IUPAC2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CCN(C1CC1)C2
InChIInChI=1S/C12H18N4/c13-5-3-12-14-7-9-8-16(10-1-2-10)6-4-11(9)15-12/h7,10H,1-6,8,13H2
InChIKeyTWXSJOBLIHSZFS-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.50
Rot. Bonds3

About 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine

2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine (PubChem CID 83917427) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine
PubChem CID83917427
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CCN(C1CC1)C2
InChIInChI=1S/C12H18N4/c13-5-3-12-14-7-9-8-16(10-1-2-10)6-4-11(9)15-12/h7,10H,1-6,8,13H2
InChIKeyTWXSJOBLIHSZFS-UHFFFAOYSA-N
XLogP0.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)ethanamine
CID 83917426
6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83919864
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
6-cyclopropyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
CID 84662225
2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
CID 83919618
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
CID 82409935
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine
CID 105439663
6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183308
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 89495036
(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81423082
7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
CID 13037040

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine (CID 83917427) is 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine is NCCc1ncc2c(n1)CCN(C1CC1)C2.
What is the InChIKey of 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine?
The InChIKey is TWXSJOBLIHSZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-5-3-12-14-7-9-8-16(10-1-2-10)6-4-11(9)15-12/h7,10H,1-6,8,13H2.
What are the key properties of 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine?
2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 83917427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).