2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane

C19H28N8O2 — CID 143890383

IUPAC2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
SMILESCC.COCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3nn(C)cc23)n1
InChIInChI=1S/C17H22N8O2.C2H6/c1-25-8-12-13(4-3-5-14(12)24-25)22-16-11(15(19)26)7-21-17(23-16)20-6-10(18)9-27-2;1-2/h3-5,7-8,10H,6,9,18H2,1-2H3,(H2,19,26)(H2,20,21,22,23);1-2H3
InChIKeyMBPRAWXLVIFSNN-UHFFFAOYSA-N
MW400.49 g/mol
LogP1.62
Rot. Bonds8

About 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane

2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane (PubChem CID 143890383) has the molecular formula C19H28N8O2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
PubChem CID143890383
Molecular FormulaC19H28N8O2
Molecular Weight400.49 g/mol
Exact Mass400.23
IUPAC Name2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
SMILESCC.COCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3nn(C)cc23)n1
InChIInChI=1S/C17H22N8O2.C2H6/c1-25-8-12-13(4-3-5-14(12)24-25)22-16-11(15(19)26)7-21-17(23-16)20-6-10(18)9-27-2;1-2/h3-5,7-8,10H,6,9,18H2,1-2H3,(H2,19,26)(H2,20,21,22,23);1-2H3
InChIKeyMBPRAWXLVIFSNN-UHFFFAOYSA-N
XLogP1.62
TPSA146.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane (CID 143890383) is 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane is CC.COCC(N)CNc1ncc(C(N)=O)c(Nc2cccc3nn(C)cc23)n1.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane?
The InChIKey is MBPRAWXLVIFSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2.C2H6/c1-25-8-12-13(4-3-5-14(12)24-25)22-16-11(15(19)26)7-21-17(23-16)20-6-10(18)9-27-2;1-2/h3-5,7-8,10H,6,9,18H2,1-2H3,(H2,19,26)(H2,20,21,22,23);1-2H3.
What are the key properties of 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane?
2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane has a molecular weight of 400.49 g/mol, XLogP of 1.62, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane is sourced from PubChem (CID 143890383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).