N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H30N6O2 — CID 99843715

IUPACN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2(N3CCOCC3)CC(OCC)C2)n2ncnc2n1
InChIInChI=1S/C19H30N6O2/c1-3-5-15-10-17(25-18(23-15)21-14-22-25)20-13-19(11-16(12-19)27-4-2)24-6-8-26-9-7-24/h10,14,16,20H,3-9,11-13H2,1-2H3
InChIKeyGOZGYEZUYMWDEJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.76
Rot. Bonds8

About N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 99843715) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID99843715
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2(N3CCOCC3)CC(OCC)C2)n2ncnc2n1
InChIInChI=1S/C19H30N6O2/c1-3-5-15-10-17(25-18(23-15)21-14-22-25)20-13-19(11-16(12-19)27-4-2)24-6-8-26-9-7-24/h10,14,16,20H,3-9,11-13H2,1-2H3
InChIKeyGOZGYEZUYMWDEJ-UHFFFAOYSA-N
XLogP1.76
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 56815285
N-(2-methoxyethyl)-4-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 56914545
5-cyclopropyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72102859
2-methyl-N-(4-morpholin-4-yloxolan-3-yl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 76426521
(3S)-1-[3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]piperidin-3-ol
CID 95862082
4-[3-[1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine
CID 99819723
7-(4-Ethoxy-4-methylpiperidin-1-yl)-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145877905
7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 164631113
5-ethyl-N-[4-(2,2,2-trifluoroethoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53509111
5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56820776
5-ethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95588762
5-ethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95588763

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 99843715) is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCC2(N3CCOCC3)CC(OCC)C2)n2ncnc2n1.
What is the InChIKey of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GOZGYEZUYMWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-3-5-15-10-17(25-18(23-15)21-14-22-25)20-13-19(11-16(12-19)27-4-2)24-6-8-26-9-7-24/h10,14,16,20H,3-9,11-13H2,1-2H3.
What are the key properties of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 99843715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).