5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C17H19N7O — CID 44590190

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C17H19N7O/c1-18-14-13(16-24-23-15(25-16)12-2-3-12)10-21-17(22-14)20-9-6-11-4-7-19-8-5-11/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H2,18,20,21,22)
InChIKeyUVQWMYZKDNUBPA-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.50
Rot. Bonds7

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 44590190) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID44590190
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C17H19N7O/c1-18-14-13(16-24-23-15(25-16)12-2-3-12)10-21-17(22-14)20-9-6-11-4-7-19-8-5-11/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H2,18,20,21,22)
InChIKeyUVQWMYZKDNUBPA-UHFFFAOYSA-N
XLogP2.50
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

FI-700
CID 11517444
5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 11524934
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-propyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 11530692
4-[[5-[4-(Propylamino)-2-[[2-(4-pyridinyl)ethyl]amino]-5-pyrimidinyl]-1,3,4-oxadiazol-2-yl]methyl]-1-piperazineethanol
CID 11532851
5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 11553619
4-N-ethyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 11711534
1-[4-[[5-[4-(Propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 11712415
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-(2-(pyridin-4-yl)ethyl)-N4-p-tolylpyrimidine-2,4-diamine
CID 44589504
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-(pyridin-4-yl)ethyl)pyrimidin-2-amine
CID 44589507
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-phenyl-2-N-(2-pyrimidin-4-ylethyl)pyrimidine-2,4-diamine
CID 44589597
4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one
CID 44589598
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 44589599

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 44590190) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UVQWMYZKDNUBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-18-14-13(16-24-23-15(25-16)12-2-3-12)10-21-17(22-14)20-9-6-11-4-7-19-8-5-11/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H2,18,20,21,22).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 337.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44590190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).