5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C19H26N8O — CID 44589684

IUPAC5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN(C)C)o1
InChIInChI=1S/C19H26N8O/c1-4-8-21-17-15(18-26-25-16(28-18)13-27(2)3)12-23-19(24-17)22-11-7-14-5-9-20-10-6-14/h5-6,9-10,12H,4,7-8,11,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyHAKVRESBWHXJLK-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.46
Rot. Bonds10

About 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 44589684) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID44589684
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN(C)C)o1
InChIInChI=1S/C19H26N8O/c1-4-8-21-17-15(18-26-25-16(28-18)13-27(2)3)12-23-19(24-17)22-11-7-14-5-9-20-10-6-14/h5-6,9-10,12H,4,7-8,11,13H2,1-3H3,(H2,21,22,23,24)
InChIKeyHAKVRESBWHXJLK-UHFFFAOYSA-N
XLogP2.46
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 44589684) is 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN(C)C)o1.
What is the InChIKey of 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is HAKVRESBWHXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-4-8-21-17-15(18-26-25-16(28-18)13-27(2)3)12-23-19(24-17)22-11-7-14-5-9-20-10-6-14/h5-6,9-10,12H,4,7-8,11,13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44589684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).